SCHEMBL31369008

SCHEMBL31369008

COC(=O)c1c(Cl)cc(C)nc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PLA2G2A P14555 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 3/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2630833 0.87 ALDH1A1 (0.53) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL12380495 0.85 KDM4E (0.44) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL8840383 0.84 POLB (0.57) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL25878585 0.83 KMT2A (0.45) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL12866760 0.83 KMT2A (0.45) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL9430268 0.81 KDM4E (0.47) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL9430272 0.81 CYP3A4 (0.53) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL30843858 0.81 CYP3A4 (0.53) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL900419 0.81 ALDH1A1 (0.58) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6652987 0.81 KMT2A (0.45) KMT2ALMNAMAPTKDM4EMEN1

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
CN-119384420-A Novel PAR-2 inhibitors 多曼治疗学公司 2025-01-28 CN disclosed