SCHEMBL12445702

SCHEMBL12445702

CCCC[C@H](NC(=O)c1ccc(N2CCOCC2=O)c(C)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
APOBEC3A P31941 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EHMT2 Q96KQ7 2/20 0.39

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
SCHEMBL1478647 0.96 F10 (0.46) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479417 0.93 F10 (0.45) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479333 0.91 F10 (0.45) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479106 0.91 F10 (0.41) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479443 0.91 F10 (0.45) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1481821 0.91 MEN1 (0.43) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479476 0.91 ALDH1A1 (0.51) ALDH1A1MEN1ALOX12APOBEC3AKMT2A
SCHEMBL1479965 0.90 MEN1 (0.43) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479976 0.90 F10 (0.46) F10ALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL1479223 0.89 F10 (0.47) F10ALDH1A1MEN1ALOX12APOBEC3A

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-1771441-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed