SCHEMBL27464342

SCHEMBL27464342

Cc1nc2cccc(C)c2c(NCc2ccc(Br)cc2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
APP P05067 2/20 0.40
POLB P06746 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CTNNB1 P35222 5/20 0.38
TCF7L2 Q9NQB0 5/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
SCD O00767 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL7554973 0.82 APP (0.39) APPPOLBCTNNB1TCF7L2L3MBTL1
SCHEMBL7654278 0.80 MEN1 (0.42) SMN1; SMN2APPPOLBCTNNB1TCF7L2
SCHEMBL27464341 0.80 CTNNB1 (0.37) APPPOLBCTNNB1TCF7L2NPC1
SCHEMBL6653145 0.79 CTNNB1 (0.36) APPPOLBCTNNB1TCF7L2NPC1
SCHEMBL28054684 0.72 KDM4E (0.47) APPKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL7653573 0.71 APP (0.52) SMN1; SMN2APPPOLBL3MBTL1KMT2A
SCHEMBL6650864 0.70 TP53 (0.51) SMN1; SMN2APPPOLBL3MBTL1KMT2A
SCHEMBL7649849 0.69 KMT2A (0.55) SMN1; SMN2APPPOLBKMT2ALMNA
SCHEMBL7553839 0.69 APP (0.49) SMN1; SMN2APPPOLBL3MBTL1KMT2A
SCHEMBL6651230 0.67 APP (0.47) SMN1; SMN2APPPOLBL3MBTL1KMT2A

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-1158299-C 4-benzylaminoquinoline conjugates with bile acid and their heteroanalogues, method fo r producing the same, medicaments containing these compounds and their use ���ĵ�˹ҩ��¹����޹�˾ 2004-07-21 CN disclosed
CN-1374968-A 4-benzylaminoquinoline conjugates with bile acid and their heteroanalogues, method fo r producing the same, medicaments containing these compounds and their use AVENTIS PHARMA PEUTSCHLAND GMB (DE) 2002-10-16 CN disclosed