SCHEMBL5314337

SCHEMBL5314337

Cc1cccc(C)c1NC(=O)c1cncc(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
GAA P10253 4/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
POLB P06746 2/20 0.59
HTT P42858 4/20 0.58
ROCK2 O75116 1/20 0.58
ALOX12 P18054 1/20 0.58
ROCK1 Q13464 1/20 0.58
LMNA P02545 1/20 0.56
MAPK1 P28482 2/20 0.55
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRNA7 P36544 1/20 0.55

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
SCHEMBL1817366 0.81 GRM5 (0.60) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL4499177 0.80 S1PR4 (0.51) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL14573319 0.78 CHRNA7 (0.70) KMT2AMEN1CHRNA7
SCHEMBL10473593 0.77 RAB9A (0.62) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL485711 0.77 MEN1 (0.82) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL5315263 0.77 CHRNA7 (0.69) CHRNA7
SCHEMBL5315210 0.76 CHRNA7 (0.61) MEN1KDM4EALDH1A1CHRNA7
SCHEMBL28884580 0.75 ALDH1A1 (0.64) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL29934023 0.75 ALDH1A1 (0.64) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL1134467 0.75 SMN1; SMN2 (0.67) KDM4EGAAALDH1A1NPC1RAB9A

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-2007062459-A1 SELECTIVE KINASE INHIBITORS BASED ON PYRIDINE SCAFFOLD CYTOPIA RESEARCH PTY LTD (AU) 2007-06-07 WO disclosed