SCHEMBL25804759

SCHEMBL25804759

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C1)C(NC(=O)c1cnccn1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ AR P10275 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PABPC1 P11940 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ATF4 P18848 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATM Q13315 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
SCHEMBL25797055 0.93 PABPC1 (0.47) RXFP1RECQLARTHRBPABPC1
SCHEMBL19568288 0.93 PABPC1 (0.47) RXFP1RECQLARTHRBPABPC1
SCHEMBL25812808 0.88 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1GAAATF4
SCHEMBL20992354 0.84 RXFP1 (0.47) RXFP1RECQLARTHRBKMT2A
SCHEMBL19556241 0.84 ATF4 (0.52) RXFP1RECQLTHRBKMT2AMEN1
SCHEMBL25796964 0.83 ATF4 (0.40) ALDH1A1GAAATF4
SCHEMBL25813024 0.83 ATF4 (0.40) ALDH1A1GAAATF4
SCHEMBL19568855 0.83 ATF4 (0.43) KMT2AMEN1ALDH1A1ATF4
SCHEMBL19568400 0.82 SSTR3 (0.44) KMT2AMEN1ALDH1A1GAAATF4
SCHEMBL25797066 0.80 ALDH1A1 (0.37) ALDH1A1GAAATF4

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
Send feedback