SCHEMBL25232000

SCHEMBL25232000

NC1=Cc2cc3c(cc2C1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIA2 P42262 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
SCHEMBL30667023 0.76 KDM4E (0.40) MEN1MAPTKMT2AALDH1A1CYP2D6
SCHEMBL16472556 0.70 CYP3A4 (0.44) MEN1MAPTKMT2AALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL11060175 0.69 LMNA (0.35) MEN1MAPTKMT2AALDH1A1CYP2D6
SCHEMBL28670460 0.68
SCHEMBL29374990 0.68
SCHEMBL29369493 0.67 ACHE (0.42) MEN1MAPTKMT2AALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL1221783 0.67
SCHEMBL546296 0.65 MAPT (0.56) MEN1MAPTKMT2AALDH1A1HSD17B10
SCHEMBL29415600 0.65 MAPT (0.56) MEN1MAPTKMT2AALDH1A1HSD17B10
SCHEMBL30666934 0.64 LMNA (0.37) MAPTGRIA2LMNA

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
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO claimed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed