SCHEMBL24401094

SCHEMBL24401094

NCc1cnc(Oc2ccc(C(F)(F)F)nc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.41
LOX P28300 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SCN9A Q15858 8/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAOB P27338 2/20 0.38
CSF1R P07333 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
DAO P14920 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.35

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
SCHEMBL4375266 0.84 ST14 (0.50) LOXL2LOXMRGPRX4TRPV4SCN9A
SCHEMBL24400400 0.82 LOXL2 (0.40) LOXL2LOXMRGPRX4TRPV4SCN9A
SCHEMBL4371648 0.81 MAOB (0.54) SCN9AMAOB
SCHEMBL18233500 0.78 LOXL2 (0.51) LOXL2LOXMRGPRX4SCN9APLAAT3
SCHEMBL29404783 0.78 LOXL2 (0.53) LOXL2LOXTRPV4MAOBDAO
SCHEMBL40545 0.78 LOXL2 (0.53) LOXL2LOXTRPV4MAOBDAO
Hydrochloric Acid SCHEMBL3494124 0.77 LOXL2 (0.55) LOXL2LOXTRPV4CHRNB2CHRNA4
SCHEMBL25383135 0.72 ALDH1A1 (0.50) TRPV4SCN9APLAAT3PLAAT5PLAAT2
SCHEMBL9900498 0.72 SCN9A (0.49) MRGPRX4TRPV4SCN9APLAAT3PLAAT5
SCHEMBL23207502 0.71 CHRNB2 (0.45) LOXL2MRGPRX4TRPV4SCN9APLAAT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 WO disclosed