SCHEMBL7199842

SCHEMBL7199842

COc1cc(C(=O)C(=O)N(C)C(C(=O)NC(CC(C)c2cccnc2)CC(C)c2cccnc2)C(C)c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
TP53 P04637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7177956 0.78 CNR1 (0.38) LMNATP53CYP1A2CYP2C19GFER
SCHEMBL7176742 0.78 CNR1 (0.38) LMNATP53CYP1A2CYP2C19GFER
SCHEMBL9077036 0.72 NOX1 (0.39) LMNAABCB1ALDH1A1MAPK1
SCHEMBL7173487 0.71 GFER (0.41) LMNACYP1A2CYP2C19GFER
SCHEMBL7173479 0.71 GFER (0.41) LMNACYP1A2CYP2C19GFER
SCHEMBL8466536 0.71 CYP1A2 (0.35) LMNATP53CYP1A2CYP2C19GFER
SCHEMBL7473785 0.69 CYP1A2 (0.37) LMNACYP1A2CYP2C19GFERABCC1
SCHEMBL7473783 0.65 FKBP1A (0.44) ABCC1ALDH1A1
SCHEMBL7464560 0.63 FKBP1A (0.42) LMNACYP1A2CYP2C19GFERABCC1
SCHEMBL6571561 0.62 NOX1 (0.38) LMNATP53ALDH1A1MAPK1

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-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP claimed