SCHEMBL9230396

SCHEMBL9230396

CCCc1nc(C)c(Cc2ccc(C(=O)OC)cc2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RNASEH1 O60930 1/20 0.45
DHFR P00374 1/20 0.43
MAPK1 P28482 1/20 0.43
DHODH Q02127 2/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL9234662 0.92 AR (0.50) ARMAPTTHRBL3MBTL1POLB
SCHEMBL9237047 0.87 DHFR (0.53) ARMAPTL3MBTL1LMNARNASEH1
SCHEMBL9231896 0.87 DHODH (0.46) MAPTTHRBL3MBTL1POLBLMNA
SCHEMBL9235475 0.84 AR (0.59) ARMAPTTHRBLMNAALDH1A1
SCHEMBL9233264 0.81 DHODH (0.47) MAPTTHRBL3MBTL1POLBLMNA
SCHEMBL9238060 0.80 DHODH (0.48) MAPTL3MBTL1POLBLMNAALDH1A1
SCHEMBL9235625 0.79 DHFR (0.56) ARMAPTTHRBLMNAALDH1A1
SCHEMBL9233991 0.77 DHFR (0.48) MAPTTHRBL3MBTL1LMNAALDH1A1
SCHEMBL9233976 0.76 DHFR (0.56) ARMAPTTHRBLMNAALDH1A1
SCHEMBL1892647 0.76 IL4I1 (0.51) THRBL3MBTL1POLBLMNAALDH1A1

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