SCHEMBL7004701

SCHEMBL7004701

COc1cccc(C(c2ccc(C(=O)NC3CC3)cc2)c2c(C(=O)O)[nH]c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
POLB P06746 4/20 0.50
GAA P10253 1/20 0.47
APOBEC3A P31941 1/20 0.44
CASP6 P55212 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PLCG1 P19174 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
CNR1 P21554 1/20 0.41
KLK7 P49862 1/20 0.40
SLC2A1 P11166 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL7005516 0.97 MEN1 (0.48) MEN1KMT2APOLBGAAAPOBEC3A
SCHEMBL7005707 0.75 MAPT (0.51) MEN1KMT2AGAACYP3A4CYP2C9
SCHEMBL7006096 0.73 MEN1 (0.52) MEN1KMT2APOLBGAAAPOBEC3A
SCHEMBL8476323 0.72 MEN1 (0.94) MEN1KMT2APOLBGAAAPOBEC3A
SCHEMBL2024325 0.71 KMT2A (0.55) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL1987728 0.71 MEN1 (0.55) MEN1KMT2AGAACYP3A4ALDH1A1
SCHEMBL12019473 0.70 KMT2A (0.56) MEN1KMT2APOLBGAACYP3A4
SCHEMBL8473549 0.69 POLB (0.45) MEN1KMT2APOLBGAAAPOBEC3A
SCHEMBL7004694 0.69 MAPK14 (0.50) KDM4EMAPK14DRD4
SCHEMBL7006749 0.68 TUBB4A (0.56) MEN1KMT2AGAAKDM4EALDH1A1

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-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed