SCHEMBL31513601

SCHEMBL31513601

O=C1c2ccccc2C(=O)N1C1CCCOC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR2B P41595 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL20331989 0.90 TSHR (0.42) CYP1A2CYP2C9CYP2C19TSHRLMNA
SCHEMBL21252166 0.90 TSHR (0.42) CYP1A2CYP2C9CYP2C19TSHRLMNA
SCHEMBL13016520 0.88 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19TSHRLMNA
SCHEMBL7201032 0.80 ALDH1A1 (0.57) CYP1A2TSHRLMNAGAAALDH1A1
SCHEMBL18935574 0.80 ALDH1A1 (0.62) CYP1A2CYP2C19TSHRALDH1A1CHRM2
SCHEMBL30212234 0.80 ALDH1A1 (0.57) CYP1A2TSHRLMNAGAAALDH1A1
SCHEMBL21386681 0.79 L3MBTL1 (0.48) CYP1A2CYP2C9CYP2C19TSHRLMNA
SCHEMBL29928113 0.79 TSHR (0.41) CYP1A2CYP2C9CYP2C19TSHRLMNA
SCHEMBL23967443 0.78 ALDH1A1 (0.65) CYP1A2CYP2C9CYP2C19TSHRLMNA
SCHEMBL30987468 0.78 ALDH1A1 (0.65) CYP1A2CYP2C9CYP2C19TSHRLMNA

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
WO-2025046492-A1 BROAD SPECTRUM AMINOGLYCOSIDES AND USES THEREOF REVAGENIX, INC. (US) 2025-03-06 WO disclosed