SCHEMBL4259882

SCHEMBL4259882

CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C#N)cc2)n2nnnc2N1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
LMNA P02545 6/20 0.70
POLB P06746 2/20 0.70
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL230555 0.88 LMNA (0.64) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2995854 0.88 ALDH1A1 (0.73) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3001209 0.86 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2995555 0.86 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2995867 0.86 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3001424 0.86 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2993691 0.85 ALDH1A1 (0.58) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3004230 0.85 ALDH1A1 (0.70) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3004228 0.85 ALDH1A1 (0.70) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2997128 0.85 ALDH1A1 (0.56) ALDH1A1LMNAPOLBTSHRNPSR1

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
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed