SCHEMBL27620523

SCHEMBL27620523

CCC(CNc1ncc(Br)cn1)C(=N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PCSK9 Q8NBP7 1/20 0.33
ACACB O00763 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SYK P43405 1/20 0.31
CCNK O75909 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL27620483 0.77 L3MBTL1 (0.42) NPC1MEN1KMT2AALDH1A1TDP1
SCHEMBL27720610 0.72 HCAR3 (0.43)
SCHEMBL27987021 0.71 STK17B (0.42) ALDH1A1SMN1; SMN2TDP1
SCHEMBL27987019 0.71 STK17B (0.42) ALDH1A1SMN1; SMN2TDP1
SCHEMBL27865070 0.69 KMT2A (0.44) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL27987449 0.69 ESR1 (0.33) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL889066 0.68 NPC1 (0.54) RAB9ANPC1PCSK9ACACBMEN1
SCHEMBL23320696 0.67 RAB9A (0.41) RAB9ANPC1KDM4EALDH1A1HDAC3
SCHEMBL2068114 0.66 NPC1 (0.50) RAB9ANPC1ACACBMEN1KMT2A
SCHEMBL20714561 0.65 NPC1 (0.47) RAB9ANPC1PCSK9ACACBMEN1

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-100448874-C N-aroyl cyclic amines SMITHKLINE BEECHAM PLC (GB) 2009-01-07 CN disclosed
CN-1633433-A N-aroyl cyclic amines SMITHKLINE BEECHAM PLC (GB) 2005-06-29 CN disclosed