SCHEMBL8084767

SCHEMBL8084767

CC(=O)Nc1ccc(C(=O)CCSc2ccnc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
HTR2C P28335 3/20 0.45
HTR2B P41595 2/20 0.45
DNMT1 P26358 2/20 0.45
DNMT3A Q9Y6K1 2/20 0.45
DNMT3L Q9UJW3 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL8084106 0.82 NPC1 (0.50) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8088227 0.77 DNMT1 (0.44) RAB9ANPC1ALDH1A1HSD17B10L3MBTL1
SCHEMBL22303101 0.76 RXFP1 (0.52) RAB9AALDH1A1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL8084606 0.74 MAPT (0.45) RAB9AALDH1A1L3MBTL1GAAHTR2C
SCHEMBL8076734 0.71 HDAC6 (0.47) RAB9ANPC1ALDH1A1HSD17B10GAA
SCHEMBL8088268 0.71 HSD17B10 (0.50) RAB9ANPC1ALDH1A1HSD17B10L3MBTL1
SCHEMBL8076787 0.71 KDR (0.40) RAB9ANPC1ALDH1A1GAADNMT1
SCHEMBL529326 0.71 DNMT1 (0.73) ALDH1A1L3MBTL1HTR2CHTR2BDNMT1
SCHEMBL8084102 0.70 HTR2C (0.53) RAB9ANPC1ALDH1A1HSD17B10HTR2C
SCHEMBL8088287 0.70 CYP17A1 (0.46) RAB9ANPC1GAAHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed