SCHEMBL8084075

SCHEMBL8084075

O=C(CSc1ccnc2ccccc12)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.52
PTPN1 P18031 1/20 0.52
CYP19A1 P11511 1/20 0.50
MAOB P27338 1/20 0.50
SMPD1 P17405 1/20 0.48
SRD5A2 P31213 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GCGR P47871 1/20 0.46
MGLL Q99685 1/20 0.44
CYP1A2 P05177 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
FAAH O00519 1/20 0.43
CNR2 P34972 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
SCHEMBL8090035 0.88 SMN1; SMN2 (0.54) NR4A2CYP19A1MAOBSRD5A2SMN1; SMN2
SCHEMBL8089979 0.80 CYP1A2 (0.51) SMN1; SMN2CYP1A2
SCHEMBL8084757 0.80 ALDH1A1 (0.49) MAOBSMN1; SMN2CYP1A2
SCHEMBL8084836 0.78 ALDH1A1 (0.54) PTPN1MAOBSMN1; SMN2CYP1A2
SCHEMBL8084665 0.78 CYP1A2 (0.57) MAOBSMN1; SMN2GCGRCYP1A2
SCHEMBL8076711 0.77 MAPT (0.51) SMN1; SMN2CYP1A2
SCHEMBL8088268 0.77 HSD17B10 (0.50) MAOBSMN1; SMN2CYP1A2
SCHEMBL8084754 0.76 CYP1A2 (0.49) MAOBSMN1; SMN2CYP1A2
SCHEMBL8076734 0.74 HDAC6 (0.47) MAOBCYP1A2
SCHEMBL8089897 0.73 HDAC6 (0.50) CYP1A2

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