SCHEMBL25908641

SCHEMBL25908641

Cc1cc(N)c(CC(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NUDT1 P36639 5/20 0.35
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2A6 P11509 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL8934135 0.78 NOS3 (0.53) UHRF1NOS3NOS1NOS2CYP1A2
SCHEMBL28198255 0.78 UHRF1 (0.50) UHRF1NOS3NOS1NOS2CYP1A2
SCHEMBL24914702 0.76 UHRF1 (0.39) UHRF1NOS3NOS1NOS2NUDT1
SCHEMBL10330646 0.76 UHRF1 (0.48) UHRF1NOS3NOS1NOS2CYP1A2
SCHEMBL22403923 0.72 UHRF1 (0.31) UHRF1CYP1A2CYP2A6
SCHEMBL7723010 0.70 UHRF1 (0.42) UHRF1NOS3NOS1NOS2ALDH1A1
SCHEMBL22402382 0.69 UHRF1 (0.50) UHRF1NOS3NOS1NOS2NUDT1
SCHEMBL2088616 0.69
SCHEMBL30014401 0.69
SCHEMBL29198060 0.69 UHRF1 (0.41) UHRF1NOS3NOS1NOS2ALDH1A1

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-4219488-A1 METHOD FOR THE PREPARATION OF UREA COMPOUNDS AS SMARCA2/BRM-ATPASE INHIBITORS Novartis AG (CH) 2023-08-02 EP disclosed