SCHEMBL22098490

SCHEMBL22098490

CCCNC(=O)CCc1cccc(CC)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL17742175 0.85 HPGD (0.55) HPGDKMT2AGAA
SCHEMBL6360887 0.83 HPGD (0.79) HPGDKMT2AGAAKDM4ELMNA
SCHEMBL14233695 0.82 HPGD (0.54) HPGDGAAMTNR1AMTNR1BALDH1A1
SCHEMBL16015432 0.82 MAPT (0.48) HPGDGAAMTNR1AMTNR1BCYP4F2
SCHEMBL21659171 0.80 ERCC1 (0.65) HPGDKMT2AGAAALDH1A1MEN1
SCHEMBL14233715 0.78 MAPT (0.44) HPGDKMT2AGAAMTNR1AMTNR1B
SCHEMBL10029412 0.78 MAPT (0.70) HPGDKMT2AKDM4ELMNAALDH1A1
SCHEMBL12303899 0.77 PRMT6 (0.51) HPGDKMT2AGAAKDM4ELMNA
SCHEMBL10750775 0.76 ALDH1A1 (0.62) HPGDMTNR1AMTNR1BCYP4F2CYP4A11
SCHEMBL3674500 0.76 KEAP1 (0.61) ALDH1A1

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-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed