SCHEMBL11255334

SCHEMBL11255334

COC(=O)Cc1c(C)nn(-c2ccccc2)c1C

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
P2RX7 Q99572 17/20 0.63
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL1780230 0.87 TSHR (0.62) TSHRP2RX7NPC1RAB9AMEN1
SCHEMBL1779853 0.87 TSHR (0.62) TSHRP2RX7NPC1RAB9AMEN1
SCHEMBL11243796 0.87 PDE4D (0.63) TSHRP2RX7NPC1RAB9AMEN1
SCHEMBL1195590 0.85 NPC1 (0.73) TSHRP2RX7NPC1RAB9AMEN1
SCHEMBL11249174 0.82 NPC1 (0.69) TSHRP2RX7NPC1RAB9AMEN1
SCHEMBL1194306 0.79 P2RX7 (0.78) P2RX7
SCHEMBL11250369 0.78 NPC1 (0.59) TSHRP2RX7NPC1RAB9AMEN1
SCHEMBL509141 0.78 GAA (0.64) P2RX7NPC1
SCHEMBL17445808 0.77 P2RX7 (0.61) TSHRP2RX7
SCHEMBL8512906 0.77 NPC1 (0.62) TSHRP2RX7NPC1RAB9AMEN1

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-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed