SCHEMBL5202853

SCHEMBL5202853

Cc1ccc(-c2n[nH]c(N)c2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
ADORA2A P29274 1/20 0.42

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
SCHEMBL21775849 0.81 MEN1 (0.47) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL5201367 0.79 KMT2A (0.54) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL5236193 0.79 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8914694 0.78 ADORA1 (0.54) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL7107364 0.74 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
Sulfuric Acid SCHEMBL5402716 0.74 FGFR1 (0.42) SMN1; SMN2ALDH1A1HPGDMAPTNPC1
SCHEMBL1802385 0.74 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL842957 0.72 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2918159 0.72 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL17054307 0.71 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed