SCHEMBL31325776

SCHEMBL31325776

Clc1ccc2cnc(-c3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CRHBP P24387 2/20 0.48
▸ CRHR2 Q13324 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45

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
SCHEMBL396984 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL28861097 0.89 PDGFRB (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL28433430 0.88 NR1I3 (0.44) MAPTHPGDADORA3ADORA1MEN1
SCHEMBL29927997 0.86 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL14904349 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL27991340 0.79 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL17689696 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL8779228 0.79 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL29593137 0.79 CYP1A2 (0.63) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4846588 0.79 CYP1A2 (0.63) NPC1RAB9ASMN1; SMN2MAPTLMNA

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-119306674-A Preparation method of 2-phenylquinazoline-4 (3H) ketone compound 重庆医科大学 2025-01-14 — — CN claimed
CN-119306674-A Preparation method of 2-phenylquinazoline-4 (3H) ketone compound 重庆医科大学 2025-01-14 — — CN disclosed
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