SCHEMBL10990477

SCHEMBL10990477

Cc1cccc(C(F)(F)F)c1NC(=O)N=C1SCCN1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.54
▸ RIPK1 Q13546 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32

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
SCHEMBL10993528 0.93 GRM5 (0.58) GRM5TP53NPC1RAB9APOLB
SCHEMBL10998692 0.89 GRM5 (0.59) GRM5TP53HPGDP2RX7
SCHEMBL10993124 0.88 GRM5 (0.62) GRM5NPC1RAB9APOLBATM
SCHEMBL10993126 0.88 GRM5 (0.62) GRM5NPC1RAB9APOLBATM
SCHEMBL10998992 0.86 GRM5 (0.51) GRM5TP53NPC1RAB9APOLB
SCHEMBL11000472 0.86 GRM5 (0.39) GRM5RIPK1TP53POLBATM
SCHEMBL10988801 0.83 GRM5 (0.54) GRM5RAB9APOLBALDH1A1GAA
SCHEMBL10988804 0.83 GRM5 (0.54) GRM5RAB9APOLBALDH1A1GAA
SCHEMBL10992172 0.83 GRM5 (0.63) GRM5NPC1RAB9APOLBGAA
SCHEMBL10992189 0.83 GRM5 (0.63) GRM5NPC1RAB9APOLBGAA

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
US-4542144-A EPILEPSY MCNEILAB INC. (US) 1985-09-17 — — US disclosed
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