SCHEMBL7235296

SCHEMBL7235296

CSc1cc(-c2cccnc2)nn1-c1ccc(NCc2c(F)cccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
MPI P34949 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
EPHX2 P34913 4/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.39
TP53 P04637 2/20 0.39
USP8 P40818 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7241965 0.86 EPHX2 (0.56) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7242287 0.84 MAPT (0.45) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7634838 0.78 MAPT (0.46) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7234580 0.76 EPHX2 (0.57) ALDH1A1KDM4EMAPTEPHX2USP8
SCHEMBL7239552 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7243090 0.75 EPHX2 (0.42) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7638011 0.75 MAPT (0.45) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7234972 0.73 L3MBTL1 (0.45) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL7233236 0.69 USP8 (0.48) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL7243350 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMAPTMEN1

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
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed