SCHEMBL6174079

SCHEMBL6174079

COc1ccc(C(=O)Nc2cnccc2C(C)C2NC(=O)N(c3ccc(SC(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 4/20 0.45
KCNK10 P57789 3/20 0.45
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE2A O00408 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ABCB1 P08183 2/20 0.36
CHUK O15111 1/20 0.36
ICOSLG O75144 1/20 0.36

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
SCHEMBL6173749 0.91 KCNK2 (0.42) KCNK2KCNK10GAANPC1LMNA
SCHEMBL6173495 0.91 KCNK2 (0.41) KCNK2KCNK10GAALMNAPDE2A
SCHEMBL6174987 0.90 GAA (0.41) GAACYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL6174745 0.85 IGF1R (0.34) RAB9ANPC1LMNASMN1; SMN2PDE2A
SCHEMBL6173116 0.85 KCNK2 (0.38) KCNK2KCNK10CYP3A4CYP2C9CYP2C19
SCHEMBL6175146 0.84 LMNA (0.39) KCNK2KCNK10RAB9ANPC1LMNA
SCHEMBL6277100 0.83 GSK3A (0.38) RAB9ANPC1MAPT
SCHEMBL6174000 0.83 DCTPP1 (0.35) KCNK2KCNK10GAACYP3A4CYP2C19
SCHEMBL6173062 0.83 LMNA (0.37) GAACYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6171505 0.82 IGF1R (0.34) CYP2C19RAB9ANPC1LMNASMN1; 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-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