SCHEMBL25808564

SCHEMBL25808564

C=C(CCNC(=O)COc1ccc(Cl)cc1)NC(=O)c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ EPHX2 P34913 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 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
SCHEMBL22627742 0.94 TDP1 (0.51) TDP1EPHX2MEN1KMT2ANPC1
SCHEMBL22627852 0.90 TRPV1 (0.43) TDP1EPHX2KMT2A
SCHEMBL22627589 0.89 TDP1 (0.39) TDP1EPHX2MEN1KMT2ACYP2C9
SCHEMBL22627559 0.88 ATF4 (0.41) TDP1EPHX2
SCHEMBL25804643 0.86 RXFP1 (0.51) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23182495 0.84 TDP1 (0.54) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL25812812 0.82 TRPV1 (0.45) TDP1EPHX2
SCHEMBL23182505 0.80 MEN1 (0.51) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23384171 0.78 MEN1 (0.48) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23182908 0.78 KDM4E (0.54) TDP1MEN1KMT2ASMN1; SMN2KDM4E

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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