SCHEMBL31293436

SCHEMBL31293436

O=C(Nc1cccc(CC(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 8/20 0.35
DCUN1D1 Q96GG9 8/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 3/20 0.34
CCKBR P32239 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ENPP2 Q13822 2/20 0.33
ATXN2 Q99700 2/20 0.33
SPR P35270 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL31293875 0.88 EPHX2 (0.46) UBE2MDCUN1D1EPHX2KMT2AALDH1A1
SCHEMBL31293858 0.87 KMT2A (0.43) SMN1; SMN2EPHX2KMT2AALDH1A1POLB
SCHEMBL31293631 0.86 EPHX2 (0.43) EPHX2CCKBR
SCHEMBL31294025 0.85 SMN1; SMN2 (0.36) UBE2MDCUN1D1SMN1; SMN2EPHX2CCKBR
SCHEMBL31293519 0.83 RAB9A (0.46) SMN1; SMN2EPHX2CCKBRKMT2AALDH1A1
SCHEMBL31293410 0.83 ENPP2 (0.35) UBE2MDCUN1D1EPHX2KMT2AMEN1
SCHEMBL31293851 0.81 SCN10A (0.35) UBE2MDCUN1D1EPHX2KMT2AMEN1
SCHEMBL31293675 0.81 CDK8 (0.43) EPHX2
SCHEMBL31293478 0.78 SYK (0.39) EPHX2USP30
SCHEMBL31293611 0.77 MEN1 (0.41) SMN1; SMN2EPHX2KMT2AALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP claimed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO claimed