SCHEMBL26417399

SCHEMBL26417399

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
RAB9A P51151 6/20 0.61
MAPT P10636 5/20 0.61
TRPV1 Q8NER1 2/20 0.61
DDX3X O00571 2/20 0.60
MAPK1 P28482 1/20 0.57
NPC1 O15118 4/20 0.54
GBA1 P04062 1/20 0.54
SHMT2 P34897 1/20 0.54
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
KCNJ6 P48051 1/20 0.52

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
SCHEMBL26417409 0.83 TRPV1 (0.61) MEN1KMT2ARAB9AMAPTTRPV1
SCHEMBL22648463 0.83 MEN1 (0.57) MEN1KMT2ARAB9AMAPTTRPV1
SCHEMBL22648464 0.83 MEN1 (0.57) MEN1KMT2ARAB9AMAPTTRPV1
SCHEMBL26417440 0.83 TRPV1 (0.63) MEN1KMT2ARAB9AMAPTTRPV1
SCHEMBL26417507 0.81 TAAR1 (0.60) MEN1KMT2ARAB9AMAPTTRPV1
SCHEMBL30851500 0.80 RAB9A (0.79) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL27193042 0.80 RAB9A (0.79) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL29555903 0.77 RAB9A (0.69) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL546002 0.77 TRPV1 (0.66) MEN1KMT2ARAB9AMAPTTRPV1
SCHEMBL4115751 0.77 NPC1 (0.67) MEN1KMT2ARAB9AMAPTMAPK1

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