SCHEMBL25800449

SCHEMBL25800449

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1cc(C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATF4 P18848 8/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 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
SCHEMBL25817460 0.94 ALDH1A1 (0.42) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL22627685 0.90 ALDH1A1 (0.42) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL22627678 0.88 ALDH1A1 (0.42) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL25814790 0.88 ATF4 (0.40) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL25796909 0.88 ALDH1A1 (0.46) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL25801442 0.88 ALDH1A1 (0.51) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL25797260 0.88 ALDH1A1 (0.41) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL22628188 0.88 KMT2A (0.53) ALDH1A1MEN1KMT2AATF4
SCHEMBL22627861 0.87 HDAC3 (0.42) ALDH1A1RXFP1MEN1KMT2AATF4
SCHEMBL22627694 0.86 KMT2A (0.40) ALDH1A1MEN1KMT2AATF4HPGD

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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