SCHEMBL18171879

SCHEMBL18171879

C[C@@H](NCc1cnc2cc(Br)ccc2n1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
CASR P41180 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL27851794 0.78 NUDT1 (0.47) MEN1KMT2AHTT
SCHEMBL780421 0.78 NUDT1 (0.47) MEN1KMT2AHTT
SCHEMBL18171887 0.78 NUDT1 (0.47) MEN1KMT2AHTT
SCHEMBL20445815 0.78 LMNA (0.49) LMNAHTR7HTR6CASRMEN1
SCHEMBL18171875 0.76 HTT (0.46) LMNASMN1; SMN2ALDH1A1HTTPDE10A
SCHEMBL13226945 0.72 PABPC1 (0.41) MEN1KMT2AALDH1A1HTTCYP1A2
SCHEMBL24449038 0.70 PDE10A (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL14469653 0.70 CASR (0.56) LMNACASRMEN1KMT2ASMN1; SMN2
SCHEMBL3730227 0.70 CASR (0.50) LMNAHTR7HTR6CASRMEN1
SCHEMBL6469053 0.70 CASR (0.50) LMNACASRMEN1KMT2ASMN1; SMN2

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-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed