SCHEMBL25317254

SCHEMBL25317254

Cc1cc(Br)nn1-c1nc(Cl)ccc1CC=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25319677 0.88 HTT (0.34) MEN1CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL25318412 0.87 HTT (0.46) MEN1CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL25321980 0.82 KDM4E (0.33) MEN1CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL25943104 0.75 MEN1 (0.36) MEN1CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL25317896 0.72 ALDH1A1 (0.32)
SCHEMBL25318523 0.72
SCHEMBL25320409 0.72 CASR (0.35)
SCHEMBL25319377 0.69
SCHEMBL25317388 0.67
SCHEMBL21591627 0.66

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-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed