SCHEMBL11380581

SCHEMBL11380581

NNC(=O)c1cccc(C(=O)CCCCC(=O)c2cccc(C(=O)NN)c2Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
OGG1 O15527 2/20 0.42
CTSD P07339 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
P2RX7 Q99572 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL11386262 0.98 ERCC5 (0.44) ERCC5FEN1MAPTALDH1A1KDM4E
SCHEMBL11384431 0.93 ERCC5 (0.45) ERCC5FEN1MAPTALDH1A1KDM4E
SCHEMBL11387906 0.84 TAS1R3 (0.38) ERCC5FEN1MAPTALDH1A1KDM4E
SCHEMBL11375267 0.82 CTSD (0.50) MAPTALDH1A1CTSDCA1CA2
SCHEMBL11382113 0.79 ALDH1A1 (0.44) ERCC5FEN1MAPTALDH1A1KDM4E
SCHEMBL4384455 0.78 TAS1R3 (0.60) ERCC5FEN1MAPTALDH1A1KDM4E
SCHEMBL11377884 0.77 ALDH1A1 (0.48) MAPTALDH1A1KDM4EOGG1CTSD
SCHEMBL2664419 0.77 MAPT (0.49) MAPTALDH1A1KDM4ECTSDCA1
SCHEMBL11383781 0.76 ALDH1A1 (0.46) MAPTALDH1A1KDM4EOGG1CTSD
SCHEMBL29746220 0.75 CA1 (0.47) MAPTALDH1A1KDM4EOGG1CTSD

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-4247474-A POLYFUNCTIONAL ALKYLENE, CYCLOALKYLENE, OR ARYLENE DERIVATIVES; HYDROGEN CHLORIDE SALTS USED AS CURING AGENTS HERCULES INCORPORATED (US) 1981-01-27 US disclosed