SCHEMBL26417409

SCHEMBL26417409

O=C(Nc1cccc(F)c1)Nc1cccc2c(I)cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.61
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
RAB9A P51151 7/20 0.58
MAPT P10636 6/20 0.58
TAAR1 Q96RJ0 1/20 0.55
MTOR P42345 1/20 0.51
GRIK1 P39086 1/20 0.51
SHMT2 P34897 1/20 0.51
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 5/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL26417471 0.84 MAPT (0.69) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL26417399 0.83 MEN1 (0.61) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL26417447 0.83 TRPV1 (0.63) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL26417519 0.81 TAAR1 (0.63) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL22648464 0.80 MEN1 (0.57) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL22648463 0.80 MEN1 (0.57) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL27193042 0.80 RAB9A (0.79) MEN1KMT2ARAB9AMAPTTAAR1
SCHEMBL30851500 0.80 RAB9A (0.79) MEN1KMT2ARAB9AMAPTTAAR1
SCHEMBL17929425 0.77 SMN1; SMN2 (0.59) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL23831937 0.76 MEN1 (0.80) TRPV1MEN1KMT2ARAB9AMAPT

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