SCHEMBL6173219

SCHEMBL6173219

CC(c1ccncc1NC(=O)c1cccc(Cl)c1)C1(C(C)c2ccncc2NC(=O)c2cccc(Cl)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 3/20 0.37
CYP2C9 P11712 2/20 0.35
POLB P06746 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
NAMPT P43490 1/20 0.34
ATM Q13315 1/20 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
SCHEMBL6173386 0.91 ALDH1A1 (0.41) ALDH1A1RXFP1MEN1KMT2AGAA
SCHEMBL6174642 0.87 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAACYP2C9
SCHEMBL6170996 0.85 CYP3A4 (0.50) ALDH1A1RXFP1MEN1KMT2AGAA
SCHEMBL6173613 0.84 KIF11 (0.37) ALDH1A1RXFP1MEN1KMT2AGAA
SCHEMBL6177570 0.83 ALDH1A1 (0.40) ALDH1A1RXFP1MEN1KMT2AGAA
SCHEMBL6175398 0.83 GRM5 (0.43) ALDH1A1MEN1KMT2AGAACYP2C9
SCHEMBL6172432 0.82 ALDH1A1 (0.38) ALDH1A1RXFP1MEN1KMT2AGAA
SCHEMBL6172433 0.82 GAA (0.38) RXFP1MEN1KMT2AGAAPOLB
SCHEMBL6174137 0.82 CYP2C9 (0.36) ALDH1A1RXFP1MEN1KMT2AGAA
SCHEMBL6172506 0.81 NAMPT (0.40) ALDH1A1RXFP1GAACYP2C9CYP3A4

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed