SCHEMBL6169856

SCHEMBL6169856

CCCNC(=O)c1onc2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.43
TP53 P04637 4/20 0.42
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAMPT P43490 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
PRNP P04156 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6168162 0.82 RXFP1 (0.40) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL6170415 0.81 USP2 (0.49) RAB9ASMN1; SMN2NPC1L3MBTL1POLB
SCHEMBL6169954 0.80 HIF1A (0.45) RAB9ANPC1LMNAHPGDALDH1A1
SCHEMBL3520666 0.79 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1L3MBTL1POLB
SCHEMBL6170192 0.77 TRPV1 (0.46) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL17454396 0.77 ALDH1A1 (0.40) RAB9ASMN1; SMN2L3MBTL1TP53ALDH1A1
SCHEMBL17437997 0.76 MAPT (0.48) RAB9AL3MBTL1POLBTP53HPGD
SCHEMBL3635258 0.76 ALDH1A1 (0.49) SMN1; SMN2LMNAGAAALDH1A1MAPT
SCHEMBL17438051 0.75 PTPN1 (0.42) SMN1; SMN2NPC1L3MBTL1POLBTP53
SCHEMBL6168967 0.73 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1L3MBTL1POLB

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
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed