SCHEMBL22436987

SCHEMBL22436987

O=C(COc1ccc(Cl)c(F)c1)NC12CCC(NC(=O)c3cccnc3)(CC1)[C@@H](O)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 14/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 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
SCHEMBL19556564 1.00 ATF4 (0.48) ATF4KDM4EMAPTRXFP1CYP3A4
SCHEMBL30961490 0.91 ATF4 (0.50) ATF4
SCHEMBL22396872 0.91 ATF4 (0.50) ATF4
SCHEMBL19569384 0.91 ATF4 (0.50) ATF4
SCHEMBL22437092 0.90 ATF4 (0.51) ATF4
SCHEMBL19556288 0.90 ATF4 (0.51) ATF4
SCHEMBL19555955 0.90 ATF4 (0.52) ATF4
SCHEMBL19556477 0.89 ATF4 (0.51) ATF4
SCHEMBL22437038 0.89 ATF4 (0.51) ATF4
SCHEMBL22396986 0.88 ATF4 (0.47) ATF4

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-3710428-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-23 — — EP disclosed
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