SCHEMBL31408673

SCHEMBL31408673

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncccc2[C@@H](C)N[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL31171461 1.00 LMNA (0.42) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31152295 1.00 LMNA (0.42) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31340166 1.00 LMNA (0.42) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31382615 0.84 LMNA (0.38) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31152304 0.84 LMNA (0.49) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31737319 0.84 LMNA (0.49) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL31152283 0.84 LMNA (0.49) LMNAMAPTCYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL31152318 0.83 LMNA (0.51) LMNAMAPTCYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL31152251 0.83 LMNA (0.51) LMNAMAPTCYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL31152303 0.83 LMNA (0.51) LMNAMAPTCYP1A2CYP2D6TSHR

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-2025049402-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed