SCHEMBL6170192

SCHEMBL6170192

O=C(NC1CC1)c1onc2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
RAB9A P51151 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 3/20 0.42
HIF1A Q16665 1/20 0.40
HTT P42858 1/20 0.40
ACKR3 P25106 1/20 0.40
MCHR1 Q99705 1/20 0.39
MLLT1 Q03111 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL6169954 0.81 HIF1A (0.45) RAB9AKMT2AMEN1NPC1HIF1A
SCHEMBL6168162 0.80 RXFP1 (0.40) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL5404456 0.80 CHRNA7 (0.51)
SCHEMBL3521624 0.78 HIF1A (0.59) TRPV1RAB9AKMT2AMEN1NPC1
SCHEMBL6169856 0.77 RAB9A (0.53) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL17438051 0.76 PTPN1 (0.42) KMT2AMEN1NPC1HTT
SCHEMBL17454396 0.75 ALDH1A1 (0.40) RAB9AKMT2AMEN1HTT
SCHEMBL14492288 0.75 RAB9A (0.58) RAB9AKMT2ANPC1HIF1A
SCHEMBL14506769 0.75 RAB9A (0.58) RAB9AKMT2ANPC1HIF1A
SCHEMBL17437997 0.74 MAPT (0.48) RAB9AKMT2AMEN1HTT

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