SCHEMBL29633435

SCHEMBL29633435

O=C(O)/C=C1\CCOc2cc(C(F)(F)F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
TRPV1 Q8NER1 5/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
OGA O60502 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1451524 1.00 PRMT5 (0.37) PRMT5WDR77NPC1RAB9AKMT2A
SCHEMBL1451522 1.00 PRMT5 (0.37) PRMT5WDR77NPC1RAB9AKMT2A
SCHEMBL1451265 0.92 NPC1 (0.40) PRMT5WDR77NPC1RAB9AKMT2A
SCHEMBL1451350 0.92 NPC1 (0.40) PRMT5WDR77NPC1RAB9AKMT2A
SCHEMBL1451268 0.92 NPC1 (0.40) PRMT5WDR77NPC1RAB9AKMT2A
SCHEMBL13538772 0.88 OGA (0.38) PRMT5WDR77NPC1RAB9AKMT2A
SCHEMBL1450816 0.86 CYP19A1 (0.37) RAB9AKMT2ATRPV1MAOAMAOB
SCHEMBL1450813 0.86 CYP19A1 (0.37) RAB9AKMT2ATRPV1MAOAMAOB
SCHEMBL1450673 0.82 CYP11B1 (0.39) PRMT5WDR77NPC1RAB9ACTNNB1
SCHEMBL1861927 0.82 CYP11B1 (0.39) PRMT5WDR77NPC1RAB9ACTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812481-A Process for producing heterocyclylacetamide derivative 持田制药株式会社 2024-10-22 CN disclosed
CN-114206847-B Process for producing heterocyclylacetamide derivative 持田制药株式会社 2024-07-16 CN disclosed
CN-114206847-A Process for producing heterocyclylideneacetamide derivative 持田制药株式会社 2022-03-18 CN disclosed