SCHEMBL25796793

SCHEMBL25796793

O=C(COc1ccc(Cl)c(F)c1)NCCCNC(=O)c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ TRPV1 Q8NER1 6/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ POLB P06746 1/20 0.43
▸ ATF4 P18848 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL22627974 0.98 TDP1 (0.51) TDP1TRPV1KMT2APOLBATF4
SCHEMBL22628253 0.88 TRPV1 (0.42) TDP1TRPV1ATF4
SCHEMBL22627559 0.88 ATF4 (0.41) TDP1TRPV1ATF4
SCHEMBL25797022 0.87 TDP1 (0.53) TDP1KMT2APOLBATF4MEN1
SCHEMBL25812812 0.87 TRPV1 (0.45) TDP1TRPV1ATF4
SCHEMBL24116707 0.83 GRIN1 (0.41) ATF4
SCHEMBL22627948 0.82 MEN1 (0.46) TDP1TRPV1KMT2AATF4MEN1
SCHEMBL22437091 0.82 ATF4 (0.54) ATF4
SCHEMBL19556276 0.82 ATF4 (0.61) ATF4
SCHEMBL22627981 0.80 TRPV1 (0.46) TDP1TRPV1KMT2ARXFP1

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
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