SCHEMBL7375478

SCHEMBL7375478

COc1scc(C)c1-c1nc(C)c(-c2cccnc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP2E1 P05181 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2A6 P11509 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIT P10721 1/20 0.39
CYP19A1 P11511 4/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL7367119 0.87 MAPK14 (0.39) RAF1
SCHEMBL7377115 0.84 NPY5R (0.57) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL7369709 0.81 CYP11B1 (0.43) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL7372971 0.79 NPY5R (0.41) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL7369854 0.79 CYP11B1 (0.48) CYP11B1CYP11B2KDM4ENPC1MAPT
SCHEMBL10564774 0.77 CYP11B2 (0.43) CYP11B1CYP11B2KDM4ENPC1MAPT
SCHEMBL7372367 0.76 CYP11B2 (0.45) CYP11B1CYP11B2CYP3A4KDM4ENPC1
SCHEMBL9634600 0.76 PDE5A (0.40) KDM4ENPC1RAB9AKITSMN1; SMN2
SCHEMBL7366314 0.75 MAPK13 (0.54) CYP11B1CYP11B2CYP3A4CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9838295 0.75 PDE5A (0.41) KDM4ENPC1RAB9AKITSMN1; SMN2

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-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed