SCHEMBL8440274

SCHEMBL8440274

CCCN1CCc2c(cccc2NC(=O)c2cc(Cl)c(OC)cc2OC)C1.CCN1CCc2c(cccc2NC(=O)c2cc(Cl)c(OC)cc2OC)C1.COc1cc(C)c(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2.COc1cc(OC)c(C(=O)Nc2cccc3c2CCNC3)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDR P35968 1/20 0.36
ABCB1 P08183 4/20 0.36
ABCG2 Q9UNQ0 4/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
RAD52 P43351 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MAP3K5 Q99683 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
P2RY1 P47900 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8189705 0.85 KDR (0.46) ALDH1A1POLBKDRABCB1ABCG2
Hydrochloric Acid SCHEMBL8182718 0.84 KDR (0.45) ALDH1A1POLBKDRABCB1ABCG2
SCHEMBL8187672 0.83 ALDH1A1 (0.50) ALDH1A1POLBKDRKMT2APSMD14
Hydrochloric Acid SCHEMBL8185493 0.82 ALDH1A1 (0.49) ALDH1A1POLBKDRKMT2APSMD14
SCHEMBL8174345 0.82 SMN1; SMN2 (0.47) ALDH1A1POLBKMT2AMAPTLMNA
SCHEMBL8175290 0.81 KMT2A (0.48) ALDH1A1POLBKMT2AMAPTLMNA
SCHEMBL8185203 0.80 KMT2A (0.48) ALDH1A1POLBKMT2AMAPTLMNA
SCHEMBL8183726 0.78 KMT2A (0.44) ALDH1A1POLBKDRKMT2ASMN1; SMN2
SCHEMBL8174378 0.77 KMT2A (0.42) ALDH1A1POLBKDRKMT2AMAPT
SCHEMBL7799966 0.77 KMT2A (0.45) POLBKMT2AMAPTLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed