SCHEMBL10690658

SCHEMBL10690658

CNc1cccc(C2(c3cccc(N(C)C)c3)OC(=O)c3cc(N(C)C)ccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
HPGD P15428 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FTO Q9C0B1 1/20 0.35
HSP90AA1 P07900 2/20 0.34
UTS2R Q9UKP6 1/20 0.33
DHFR P00374 6/20 0.33

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
SCHEMBL10853375 0.91 TDP1 (0.51) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL20335097 0.85 TDP1 (0.80) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL19288880 0.84 TDP1 (0.82) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL8024125 0.84 ALDH1A1 (0.64) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL5282818 0.83 TDP1 (0.75) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL10862282 0.79 LMNA (0.67) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL18143522 0.79 ALDH1A1 (1.00) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL27188 0.79 ALDH1A1 (1.00) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL18143537 0.79 ALDH1A1 (0.62) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL11070229 0.79 ALDH1A1 (0.73) TDP1ALDH1A1CYP3A4HPGDHIF1A

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
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed