SCHEMBL5704536

SCHEMBL5704536

CCOc1cccc(Oc2cc(OC)ccc2[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ RECQL P46063 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.53
▸ LMNA P02545 2/20 0.53
▸ USP2 O75604 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PIN1 Q13526 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ ALPG P10696 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ F10 P00742 1/20 0.46
▸ HPGD P15428 2/20 0.46

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
SCHEMBL1963579 0.82 HTR6 (0.56) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5349810 0.81 MAOB (0.49) MAPTKMT2AMEN1ALDH1A1PIN1
SCHEMBL18988345 0.80 MERTK (0.54) MAPTKMT2AMEN1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5344266 0.80 MAOB (0.50) MAPTKMT2AMEN1ALDH1A1PIN1
SCHEMBL1339905 0.79 L3MBTL1 (0.64) MAPTKMT2AMEN1MAPK1RECQL
SCHEMBL30668812 0.79 L3MBTL1 (0.64) MAPTKMT2AMEN1MAPK1RECQL
SCHEMBL1298266 0.79 MERTK (0.52) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7569094 0.79 MAPT (0.58) MAPTKMT2AMEN1MAPK1RECQL
SCHEMBL6230766 0.76 ALDH1A1 (0.56) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL27708859 0.76 MAPT (0.64) MAPTKMT2AMEN1MAPK1RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 — — EP disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 — — US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 — — EP disclosed
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