SCHEMBL7135117

SCHEMBL7135117

O=C(O)Nc1ccc(Br)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
HTT P42858 4/20 0.59
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX15 P16050 1/20 0.50
GAA P10253 1/20 0.50
RGS12 O14924 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL2229391 0.85 ACLY (0.46) MAPK1HTTKMT2AALDH1A1KDM4E
SCHEMBL9836471 0.85 MAPK1 (0.61) MAPK1HTTKMT2AALDH1A1KDM4E
SCHEMBL879030 0.83 MAPK1 (0.64) MAPK1HTTKMT2AALDH1A1KDM4E
SCHEMBL20310394 0.83 MAPK1 (0.59) MAPK1HTTKMT2AALDH1A1KDM4E
SCHEMBL2090906 0.82 RAB9A (0.63) HTTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL14053110 0.82 ALDH1A1 (0.47) MAPK1KMT2AALDH1A1KDM4ELMNA
SCHEMBL24252964 0.81 MAPT (0.66) MAPK1KMT2AALDH1A1KDM4ELMNA
SCHEMBL21949446 0.80 MAPK1 (0.56) MAPK1HTTKMT2AALDH1A1KDM4E
SCHEMBL4261842 0.80 MAPK1 (0.56) MAPK1HTTKMT2AALDH1A1KDM4E
SCHEMBL30930866 0.80 MAPK1 (0.69) MAPK1HTTKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed