SCHEMBL31280487

SCHEMBL31280487

Cc1ccc(Sc2ccc3ccccc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ CYP1A2 P05177 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PRNP P04156 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CTSD P07339 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ DHFR P00374 1/20 0.41

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
SCHEMBL8737022 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL2114821 0.85 HPGD (0.58) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL29980222 0.85 HPGD (0.58) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL3389504 0.82 KDM1A (0.53) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL6899659 0.80 RXFP1 (0.53) SMN1; SMN2NPC1RAB9ACYP1A2MAPT
SCHEMBL11775727 0.79 HPGD (0.49) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL8565804 0.79 HPGD (0.43) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL3391165 0.78 CTSD (0.49) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL2098479 0.76 RXFP1 (0.53) SMN1; SMN2NPC1RAB9ACYP1A2MAPT
SCHEMBL8559230 0.76 MAPT (0.52) SMN1; SMN2NPC1RAB9AMAPTPRNP

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
CN-119101915-A Method for constructing benzoxazole [3,2-a ] quinoline salt by utilizing electrochemical oxidative coupling reaction 桂林理工大学 2024-12-10 — — CN claimed
CN-119101915-A Method for constructing benzoxazole [3,2-a ] quinoline salt by utilizing electrochemical oxidative coupling reaction 桂林理工大学 2024-12-10 — — CN disclosed
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