SCHEMBL11632467

SCHEMBL11632467

C=CCn1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.50
NTRK2 Q16620 5/20 0.50
IGF1R P08069 3/20 0.50
FGFR1 P11362 3/20 0.50
NTRK3 Q16288 3/20 0.50
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
ADORA2B P29275 1/20 0.40

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
SCHEMBL5049130 0.83 CYP3A4 (0.59) MEN1KMT2AGSK3AGSK3BALDH1A1
SCHEMBL13774950 0.83 CYP3A4 (0.54) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL5755656 0.81 NTRK1 (0.58) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL14950255 0.80 MAPK8 (0.56) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL11684045 0.80 PGR (0.54) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL10383929 0.79 GAA (0.44) MEN1GAAKMT2AATMALDH1A1
SCHEMBL11771158 0.79 SMN1; SMN2 (0.40) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL5198556 0.78 NTRK1 (0.72) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL29251945 0.77 NTRK1 (0.50) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL11769686 0.77 ALDH1A1 (0.40) NTRK1NTRK2NTRK3MEN1GAA

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-4085268-A Disubstituted s-triazines ARMSTRONG CORK COMPANY (US) 1978-04-18 US disclosed