SCHEMBL9405410

SCHEMBL9405410

Nc1cc(N)cc(C(=O)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ DDO Q99489 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ FURIN P09958 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ MITF O75030 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CASP1 P29466 1/20 0.30

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
Hydrochloric Acid SCHEMBL9406843 0.97 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2265450 0.94 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9405380 0.92 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL29168864 0.80 CYP3A4 (0.55) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL13970621 0.80 KDM4E (0.32) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL28312240 0.79 CA12 (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL38576 0.78 ALDH1A1 (0.40) ALDH1A1TP53TSHRTDP1
SCHEMBL8196675 0.77 PBRM1 (0.50) KDM4EALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL10567655 0.76 NPC1 (0.56) ALDH1A1LMNACYP3A4TP53TSHR
SCHEMBL10042217 0.76 GLRA1 (0.37) KDM4ETHRBSMN1; SMN2HSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022406-A1 MEMBRANE COMPRISING A SELECTIVELY PERMEABLE POLYMER LAYER OF A HIGHLY BRANCHED POLYMER MERCK PATENT GMBH (DE) 2012-02-23 — — WO disclosed
WO-2011074546-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2011-06-23 — — WO disclosed
EP-0610400-A1 HYPERBRANCHED ARAMIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-08-17 — — EP disclosed
WO-1993009162-A1 HYPERBRANCHED ARAMIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-13 — — WO disclosed
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