SCHEMBL7985486

SCHEMBL7985486

CCCc1ccccc1Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GFER P55789 1/20 0.61
GRM5 P41594 2/20 0.49
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CXCR4 P61073 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7985498 0.86 MEN1 (0.66) MAPK10MEN1KMT2AGFERGRM5
SCHEMBL3960441 0.83 GRM5 (0.68) MAPK10MEN1KMT2AGFERGRM5
SCHEMBL13813554 0.80 ADRA2B (0.46) MEN1KMT2AGRM5ADRA2BADRA2C
SCHEMBL3279571 0.78 MEN1 (1.00) MAPK10MEN1KMT2AGFERGRM5
SCHEMBL2583677 0.76 MEN1 (0.51) MAPK10MEN1KMT2AGFERALDH1A1
SCHEMBL11443309 0.74 MEN1 (0.58) MAPK10MEN1KMT2AGFERCYP1A2
SCHEMBL7982172 0.73 MAPT (0.47) MEN1KMT2AADRA2BADRA2CALDH1A1
SCHEMBL31220877 0.73 MAPK10 (0.73) MAPK10MEN1KMT2AGFERADRA2B
SCHEMBL7941542 0.73 MAPK10 (0.73) MAPK10MEN1KMT2AGFERADRA2B
SCHEMBL3265735 0.73 MEN1 (0.80) MAPK10MEN1KMT2AGFERGRM5

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
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed