SCHEMBL8724216

SCHEMBL8724216

c1csc(-c2ccsc2-n2ccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
CYP3A4 P08684 4/20 0.40
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2B6 P20813 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 2/20 0.36
PDE5A O76074 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8722319 0.76 MEN1 (0.42) CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9
SCHEMBL8724113 0.74 CYP17A1 (0.42) CYP11B1CYP11B2CYP3A4MAPK8MAPK10
SCHEMBL27457703 0.73 MEN1 (0.60) CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9
SCHEMBL8721409 0.73 IDO1 (0.46) CYP11B1CYP11B2CYP3A4MAPK8MAPK10
SCHEMBL3787426 0.71 LMNA (0.47) CYP11B1CYP11B2CYP3A4MAPK8MAPK10
SCHEMBL10614052 0.71 NOTUM (0.47) CYP3A4MAPK8MAPK10CYP2A6CYP2C9
SCHEMBL7644186 0.71 CYP3A4 (0.48) CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9
SCHEMBL8720894 0.71 MAPK8 (0.33) CYP3A4MAPK8MAPK10CYP2A6LMNA
SCHEMBL27590600 0.69 CYP3A4 (0.47) CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9
SCHEMBL8724044 0.69 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9

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