SCHEMBL25817460

SCHEMBL25817460

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ATF4 P18848 7/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL25800449 0.94 ALDH1A1 (0.45) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22628029 0.92 ALDH1A1 (0.44) ALDH1A1RXFP1KMT2AMEN1HDAC3
SCHEMBL22956187 0.90 HDAC3 (0.42) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22627652 0.90 ATF4 (0.41) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22956149 0.89 ATF4 (0.39) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22956383 0.89 HDAC3 (0.40) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22956194 0.88 ATF4 (0.41) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22627982 0.88 ATF4 (0.43) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22956242 0.88 ATF4 (0.41) ALDH1A1RXFP1KMT2AMEN1ATF4
SCHEMBL22628192 0.88 ALDH1A1 (0.43) ALDH1A1RXFP1KMT2AMEN1ATF4

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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