SCHEMBL27468140

SCHEMBL27468140

Cc1ccc(N)c([N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY1R P25929 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28179841 0.81 TSHR (0.50) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL27343575 0.81 ALDH1A1 (0.42) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL23122433 0.79 ALDH1A1 (0.40) CYP3A4ALDH1A1TDP1KMT2AMEN1
SCHEMBL27565844 0.79 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL27261746 0.79 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1TDP1HSD17B10
SCHEMBL27555021 0.79 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL938653 0.77 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL17672642 0.77 RXRB (0.44) TSHRCYP3A4ALDH1A1TDP1HSD17B10
SCHEMBL17672643 0.77 RXRB (0.44) TSHRCYP3A4ALDH1A1TDP1HSD17B10
SCHEMBL28659258 0.77 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 — — CN claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN claimed
CN-101631793-B Electroluminescent metal complexes of benzotriazoles BASF SE 2013-12-25 — — CN disclosed
CN-101160306-B Benzimidazole compounds EISAI R&D MAN CO LTD 2011-11-02 — — CN disclosed
CN-101909446-A Quinoxaline-containing compounds as hepatitis c virus inhibitors ENANTA PHARM INC 2010-12-08 — — CN disclosed
CN-100497333-C Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2009-06-10 — — CN disclosed
CN-100477037-C Electrolytic capacitor and electrolyte for driving electrolytic capacitor RUBYCON CORP (JP) 2009-04-08 — — CN disclosed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 — — CN disclosed
CN-101160306-A Benzimidazole compounds EISAI R&D MAN CO LTD (JP) 2008-04-09 — — CN disclosed
CN-1856312-A Combination of mGluR2 antagonist and AChE inhibitor for treatment of acute and/or chronic neurological disorders HOFFMANN LA ROCHE (CH) 2006-11-01 — — CN disclosed
CN-1213019-C Sulfonamide and carboxamide derivatives and drugs containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2005-08-03 — — CN disclosed
CN-1633430-A Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2005-06-29 — — CN disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 — — CN disclosed
CN-1170824-C Benzotriazole UV absorbent �������⻯ѧƷ�ع����޹�˾ 2004-10-13 — — CN disclosed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN disclosed
CN-1494723-A Electrolytic capacitor and electrolyte for driving electrolytic capacitor 如碧空株式会社 2004-05-05 — — CN disclosed
CN-1265395-A Benzotriazole UV absorbent CIBA SC HOLDING AG (CH) 2000-09-06 — — CN disclosed
CN-1247529-A Sulfonamide and carboxamide derivatives and drugs containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2000-03-15 — — CN disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 — — CN disclosed
CN-1209744-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-03-03 — — CN disclosed
Send feedback