SCHEMBL24385121

SCHEMBL24385121

C=Cc1cc(-c2cccnc2)ccc1NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
ERN1 O75460 1/20 0.48
EPHX2 P34913 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP11B2 P19099 6/20 0.44
CYP11B1 P15538 5/20 0.44
CYP19A1 P11511 3/20 0.44
CYP17A1 P05093 3/20 0.44
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
FGFR1 P11362 2/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL13615433 0.78 MKNK1 (0.54) HTR6EPHX2PRMT6CYP3A4CYP2A6
SCHEMBL18717220 0.77 MKNK1 (0.53) ERN1CYP3A4CYP2A6ALDH1A1CYP1A2
SCHEMBL23175644 0.73 HTR6 (0.49) HTR6ERN1EPHX2PRMT6CYP3A4
SCHEMBL23586721 0.71 CYP19A1 (0.44) ERN1EPHX2PRMT6CYP3A4CYP2A6
SCHEMBL12458074 0.71 ERN1 (0.48) ERN1CYP3A4CYP2A6ALDH1A1CYP1A2
SCHEMBL550265 0.70 CYP2A6 (0.52) ERN1CYP3A4CYP2A6ALDH1A1CYP1A2
SCHEMBL10022102 0.70 CYP2A6 (0.52) ERN1CYP3A4CYP2A6ALDH1A1CYP1A2
SCHEMBL10022104 0.70 MEN1 (0.47) ERN1EPHX2PRMT6CYP3A4CYP2A6
SCHEMBL2650388 0.69 EPHX2 (0.58) HTR6EPHX2PRMT6CYP3A4CYP2A6
SCHEMBL30098400 0.69 EPHX2 (0.58) HTR6EPHX2PRMT6CYP3A4CYP2A6

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-3508223-B1 COMPOSITION FOR ACTIVATING NEUROGENESIS UNIV KYOTO (JP) 2022-05-04 EP disclosed