SCHEMBL9230386

SCHEMBL9230386

Cc1nc(C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(=O)c1Cc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
AGTR1 P30556 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9233027 0.93 PPARG (0.45) PPARGSMN1; SMN2NPC1KMT2AAGTR1
SCHEMBL9237998 0.91 PPARG (0.43) PPARGSMN1; SMN2NPC1KMT2A
SCHEMBL9235907 0.90 AGTR1 (0.42) AGTR1
SCHEMBL9231238 0.89 AGTR1 (0.54) PPARGAGTR1
SCHEMBL9234723 0.86 PPARG (0.57) PPARGAGTR1
SCHEMBL9234703 0.86 PPARG (0.41) PPARG
SCHEMBL9235240 0.84 PPARG (0.40) PPARGAGTR1
SCHEMBL9230412 0.84 PPARG (0.48) PPARGAGTR1
SCHEMBL9232948 0.83 AGTR1 (0.45) AGTR1
SCHEMBL9236597 0.82 AGTR1 (0.54) PPARGAGTR1

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-0685467-A1 NOVEL PYRIMIDINE DERIVATIVE AND MEDICINAL COMPOSITION NKK CORPORATION (JP) 1995-12-06 EP disclosed