SCHEMBL25804643

SCHEMBL25804643

C=C(CCNC(=O)COc1ccc(C)c(C)c1)NC(=O)c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ THRB P10828 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
SCHEMBL22627589 0.88 TDP1 (0.39) RXFP1KMT2AHPGDMEN1NPSR1
SCHEMBL22627852 0.88 TRPV1 (0.43) RXFP1KMT2AALDH1A1TDP1
SCHEMBL25808564 0.86 TDP1 (0.52) KMT2AMEN1KDM4ETDP1SMN1; SMN2
SCHEMBL22627559 0.86 ATF4 (0.41) ALDH1A1TDP1
SCHEMBL25812812 0.80 TRPV1 (0.45) TDP1
SCHEMBL22627742 0.80 TDP1 (0.51) KMT2AMEN1TDP1RAB9A
SCHEMBL20999332 0.79 HPGD (0.64) RXFP1KMT2AHPGDMEN1MAPT
SCHEMBL22956283 0.79 DHODH (0.36) RXFP1TDP1
SCHEMBL22956628 0.78 MEN1 (0.58) RXFP1KMT2AHPGDMEN1MAPT
SCHEMBL25796969 0.77 TDP1 (0.43) RXFP1KMT2AHPGDMEN1ALDH1A1

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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