SCHEMBL8720894

SCHEMBL8720894

C1=C(c2ccsc2-n2ccnc2)SCC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP19A1 P11511 3/20 0.32
TBXAS1 P24557 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ENPP2 Q13822 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
NOTUM Q6P988 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
CYP2A6 P11509 1/20 0.30
CYP51A1 Q16850 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL8724216 0.71 CYP11B1 (0.42) MAPK8MAPK10CYP3A4CYP19A1LMNA
SCHEMBL8724113 0.70 CYP17A1 (0.42) MAPK8MAPK10CYP3A4LMNAMAPT
SCHEMBL8721409 0.69 IDO1 (0.46) MAPK8MAPK10CYP3A4CYP19A1LMNA
SCHEMBL8722338 0.68 KDM4E (0.30) CYP3A4
SCHEMBL3787426 0.67 LMNA (0.47) MAPK8MAPK10CYP3A4CYP19A1LMNA
SCHEMBL10614052 0.67 NOTUM (0.47) MAPK8MAPK10CYP3A4CYP19A1LMNA
SCHEMBL8721596 0.62 CYP11B1 (0.47) CYP3A4CYP19A1TBXAS1MAPTCYP2A6
SCHEMBL3785685 0.62 MAPT (0.46) MAPK8MAPK10CYP3A4CYP19A1MAPT
SCHEMBL8720936 0.61 MAPK8 (0.40) MAPK8MAPK10CYP3A4CYP19A1TBXAS1
SCHEMBL28061806 0.58 CYP3A4 (0.50) CYP3A4CYP19A1LMNAMAPTENPP2

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