SCHEMBL1925163

SCHEMBL1925163

COc1ccc(OC)c(NC(=O)Nc2ccc(-c3c(CCC(=O)O)c[nH]c3C(N)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
MAPT P10636 7/20 0.50
GAA P10253 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 2/20 0.44
RET P07949 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
ROCK2 O75116 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL1924610 0.91 MAPT (0.52) MEN1KMT2AMAPTGAATP53
SCHEMBL1926602 0.90 KDM4E (0.46) MEN1KMT2AMAPTGAAPOLB
SCHEMBL1924361 0.89 KMT2A (0.46) MEN1KMT2AMAPTGAATP53
SCHEMBL1925383 0.88 RAB9A (0.53) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL1926895 0.87 MAPT (0.41) MEN1KMT2AMAPTTP53MAPK1
SCHEMBL1923987 0.86 TSHR (0.50) MEN1KMT2AMAPTGAATP53
SCHEMBL1925623 0.84 MEN1 (0.54) MEN1KMT2AMAPTGAATP53
SCHEMBL1923912 0.81 KDR (0.48) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL1924934 0.81 MAPK1 (0.55) MEN1KMT2AMAPTGAATP53
SCHEMBL1924884 0.80 MEN1 (0.42) MEN1KMT2AMAPTTP53POLB

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-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP claimed