SCHEMBL24322936

SCHEMBL24322936

COc1ccc(CCNC(=O)C2CC(NC(=O)COc3ccc(Cl)c(F)c3)C3CC2C3)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 3/20 0.45
▸ KMT2A Q03164 5/20 0.43
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 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
SCHEMBL19577456 1.00 ATF4 (0.45) ATF4KMT2ALMNAPKMSMN1; SMN2
SCHEMBL24324305 1.00 ATF4 (0.45) ATF4KMT2ALMNAPKMSMN1; SMN2
SCHEMBL19577457 0.93 ATF4 (0.46) ATF4LMNAPKMALDH1A1GAA
SCHEMBL24322824 0.93 ATF4 (0.46) ATF4LMNAPKMALDH1A1GAA
SCHEMBL24323484 0.88 ATF4 (0.47) ATF4LMNA
SCHEMBL19577327 0.88 ATF4 (0.44) ATF4LMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL19577383 0.88 HSD17B10 (0.45) ATF4KMT2ALMNAPKMSMN1; SMN2
SCHEMBL24323139 0.88 HSD17B10 (0.45) ATF4KMT2ALMNAPKMSMN1; SMN2
SCHEMBL24323102 0.88 HSD17B10 (0.45) ATF4KMT2ALMNAPKMSMN1; SMN2
SCHEMBL24323450 0.85 GAA (0.47) ATF4KMT2ALMNASMN1; SMN2ALDH1A1

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-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
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