SCHEMBL8084836

SCHEMBL8084836

O=C(CSc1ccnc2ccccc12)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
KMT2A Q03164 4/20 0.54
HSP90AA1 P07900 1/20 0.54
KDM4E B2RXH2 6/20 0.51
HPGD P15428 5/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 8/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
CDC7 O00311 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 2/20 0.46
RECQL P46063 2/20 0.46
AR P10275 1/20 0.46
ALPG P10696 1/20 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
SCHEMBL8089902 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8088268 0.83 HSD17B10 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8084741 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8084757 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8084879 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8084786 0.79 GCGR (0.59) ALDH1A1RAB9AKMT2AKDM4EHPGD
SCHEMBL8084739 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8084097 0.79 HTR2C (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8090035 0.79 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2RAB9AHPGDGAA
SCHEMBL8076747 0.79 CYP1A2 (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A

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