SCHEMBL14487554

SCHEMBL14487554

ON(O)c1c(-n2ccnc2)nn2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
TSHR P16473 5/20 0.36
ALOX15 P16050 1/20 0.36
CYP11B2 P19099 3/20 0.35
CYP1A2 P05177 10/20 0.35
TDP1 Q9NUW8 6/20 0.35
ENPP2 Q13822 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
LMNA P02545 8/20 0.35
USP2 O75604 4/20 0.35
CYP11B1 P15538 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2D6 P10635 8/20 0.34
CYP2C19 P33261 8/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL13016460 0.78 CYP3A4 (0.43) CYP3A4IDO1MEN1KMT2ATSHR
SCHEMBL1842559 0.78 CYP3A4 (0.43) CYP3A4IDO1MEN1KMT2ATSHR
SCHEMBL12659932 0.77 CYP3A4 (0.40) CYP3A4IDO1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL1839240 0.77 CYP3A4 (0.42) CYP3A4IDO1MEN1KMT2ATSHR
SCHEMBL14487201 0.75 MAPK1 (0.40) MEN1KMT2ATSHRCYP1A2TDP1
SCHEMBL1840378 0.73 ALDH1A1 (0.51) CYP3A4IDO1MEN1KMT2ATSHR
SCHEMBL12659437 0.67 PDE5A (0.36) CYP3A4MEN1KMT2ATSHRCYP1A2
SCHEMBL14487220 0.66 CHEK2 (0.43) CYP2D6
SCHEMBL12659438 0.65 PDE5A (0.38) CYP3A4MEN1KMT2ATSHRCYP1A2
SCHEMBL14487719 0.65 ALDH1A1 (0.45) CYP3A4MEN1KMT2ATSHRCYP1A2

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
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP disclosed