SCHEMBL31332850

SCHEMBL31332850

COC(C)(CNC(=O)/C=C/c1ccccc1F)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 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
SCHEMBL31332729 0.74 SIGMAR1 (0.38) LMNAMEN1KMT2AITGB2ICAM1
SCHEMBL2420566 0.73 CYP1A2 (0.55) CYP1A2CYP2C19LMNASMN1; SMN2L3MBTL1
SCHEMBL2420564 0.73 CYP1A2 (0.55) CYP1A2CYP2C19LMNASMN1; SMN2L3MBTL1
SCHEMBL31332767 0.72 OPRM1 (0.50) HPGDCYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL31332818 0.70 EPHX1 (0.50)
SCHEMBL31332728 0.70 IDH1 (0.44) HPGDALDH1A1GAARAB9A
SCHEMBL17219712 0.70 SMN1; SMN2 (0.51) HPGDLMNAHDAC4HDAC3HDAC1
SCHEMBL17219710 0.70 SMN1; SMN2 (0.51) HPGDLMNAHDAC4HDAC3HDAC1
SCHEMBL31332799 0.70 POLB (0.53) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31332754 0.69 KMT2A (0.56) LMNASMN1; SMN2MEN1KMT2AL3MBTL1

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-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed