SCHEMBL29987741

SCHEMBL29987741

O=C(Nc1ccc2cc(Cl)ccc2n1)C1CCN(c2nnc([C@H]3C[C@@H](OC(F)(F)F)C3)o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 9/20 0.53
▸ KCNH2 Q12809 1/20 0.40
▸ PTGES O14684 8/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RBP4 P02753 1/20 0.37

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
SCHEMBL29988266 0.89 ATF4 (0.57) ATF4KCNH2
SCHEMBL29987802 0.80 ATF4 (0.48) ATF4KCNH2
SCHEMBL24998294 0.79 CYP3A4 (0.45) ATF4PTGESTP53MAPTRXFP1
SCHEMBL29988262 0.79 ATF4 (0.44) ATF4
SCHEMBL24997345 0.78 ATF4 (0.43) ATF4PTGESPTGS2
SCHEMBL29988078 0.78 RAB9A (0.47) PTGESPTGS2MAPT
SCHEMBL24997331 0.77 MEN1 (0.42) ATF4PTGESPTGS2
SCHEMBL29987826 0.77 CASP3 (0.43) ATF4
SCHEMBL29988220 0.77 CASP3 (0.43) ATF4
SCHEMBL29988086 0.77 CASP3 (0.43) 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
WO-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 — — WO disclosed
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