SCHEMBL9295949

SCHEMBL9295949

O=C(NC1CCCCC1)c1ccc(CBr)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.58
▸ RAB9A P51151 9/20 0.58
▸ HPGD P15428 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MLLT1 Q03111 1/20 0.51
▸ HDAC1 Q13547 5/20 0.50
▸ HDAC6 Q9UBN7 5/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL13304158 0.88 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL507865 0.86 NPC1 (0.58) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL6226380 0.82 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL9379929 0.82 KMT2A (0.57) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL2923680 0.80 NPC1 (0.65) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL3779866 0.80 TAS1R3 (0.53) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL24746236 0.79 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL4598068 0.77 NPC1 (0.64) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL3134481 0.76 KMT2A (0.60) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL507568 0.76 RAB9A (0.62) NPC1RAB9AHPGDSMN1; SMN2TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344414-B1 5-Substitued imidazo[4,5-c]pyridines SEARLE & CO (US) 1994-10-12 — — EP disclosed
US-5302601-A Useful in the treatment of diseases mediated by platelet activating factor G. D. SEARLE & CO. (US) 1994-04-12 — — US disclosed
US-5227384-A Platelet activating factor antagonist G. D. SEARLE & CO. (US) 1993-07-13 — — US disclosed
US-5019581-A 5-substituted (4,5-c) imidazopyridine compounds which have useful platelet activating factor antagonistic activity G. D. SEARLE & CO. (US) 1991-05-28 — — US disclosed
US-4914108-A TREATMENT OF INFLAMMATION, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS G. D. SEARLE & CO. (US) 1990-04-03 — — US disclosed
EP-0344414-A1 5-Substitued imidazo[4,5-c]pyridines G.D. Searle & Co. (US) 1989-12-06 — — EP disclosed
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