SCHEMBL13624876

SCHEMBL13624876

N=C/C(C(N)=O)=C(\N)Nc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.51
GAA P10253 1/20 0.48
MAOB P27338 6/20 0.46
MAOA P21397 3/20 0.46
IDO1 P14902 1/20 0.45
P2RX1 P51575 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NLRP3 Q96P20 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13624774 0.82 HSD17B10 (0.53) GAAMAOBMAOAMEN1KMT2A
SCHEMBL23749844 0.82 HSD17B10 (0.53) GAAMAOBMAOAMEN1KMT2A
SCHEMBL14981678 0.81 GAA (0.46) TGM2GAAMAOBMAOAALDH1A1
SCHEMBL14981720 0.79 GPR35 (0.35) MEN1KMT2ARAB9ANPC1ALOX15
SCHEMBL13624691 0.79 SIGMAR1 (0.49) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL13624994 0.79 TP53 (0.52) KMT2ARAB9ANPC1LMNAALDH1A1
SCHEMBL14981681 0.76 SYK (0.41)
SCHEMBL167814 0.76 GAA (0.61) TGM2GAAMAOBMAOAIDO1
SCHEMBL2085653 0.72 TGM2 (0.66) TGM2GAAMAOBMAOAIDO1
SCHEMBL11878139 0.72 IDO1 (0.58) TGM2GAAMAOBMAOAIDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed