SCHEMBL8722319

SCHEMBL8722319

c1ccc(-c2cc(-c3cccs3)c(-n3ccnc3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ALOX5 P09917 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL8720919 0.85 MAPT (0.46) MEN1KMT2ANPSR1CYP3A4CYP2C9
SCHEMBL8726103 0.78 MEN1 (0.49) MEN1KMT2AALOX15TSHRUSP2
SCHEMBL8720881 0.77 MEN1 (0.47) MEN1KMT2AALOX15TSHRUSP2
SCHEMBL8724216 0.76 CYP11B1 (0.42) MEN1KMT2AALOX15TSHRUSP2
SCHEMBL27457703 0.72 MEN1 (0.60) MEN1KMT2AALOX15TSHRLMNA
SCHEMBL27958208 0.67 CYP11B1 (0.54) MEN1KMT2AALOX15TSHRUSP2
Pyridine SCHEMBL30984530 0.67 CYP3A4 (0.70) MEN1KMT2ANPSR1TDP1CYP11B1
SCHEMBL8724176 0.65 CYP1A2 (0.38) MEN1KMT2AALOX15TSHRCYP11B1
SCHEMBL28084001 0.65 TSHR (0.58) MEN1KMT2AALOX15TSHRUSP2
SCHEMBL31124 0.64 CYP3A4 (0.58) MEN1KMT2ATDP1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998000430-A1 IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed