SCHEMBL26417440

SCHEMBL26417440

Cc1cccc2c(NC(=O)Nc3cccc(C(F)(F)F)c3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.63
KDR P35968 1/20 0.63
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 4/20 0.62
HTT P42858 3/20 0.62
RAB9A P51151 2/20 0.62
GRIK1 P39086 5/20 0.62
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
LMNA P02545 2/20 0.56
NTRK1 P04629 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
MAPK1 P28482 1/20 0.56
DDX3X O00571 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL17079632 0.88 DDX3X (0.73) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL29470036 0.85 KMT2A (0.67) KDRMEN1KMT2AMAPTHTT
SCHEMBL22648635 0.85 TRPV1 (0.61) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL26417447 0.85 TRPV1 (0.63) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL1463302 0.84 GRIK1 (0.67) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL17664319 0.83 KMT2A (0.82) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL26417399 0.83 MEN1 (0.61) TRPV1MEN1KMT2AMAPTRAB9A
SCHEMBL30101230 0.82 KMT2A (0.90) KDRMEN1KMT2AMAPTHTT
SCHEMBL5597699 0.82 KMT2A (0.90) KDRMEN1KMT2AMAPTHTT
SCHEMBL19398194 0.82 KDR (0.70) TRPV1KDRMEN1KMT2AMAPT

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-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed