SCHEMBL7752909

SCHEMBL7752909

Nc1ccc(NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HDAC1 Q13547 2/20 0.57
LTC4S Q16873 1/20 0.56
SERPINE1 P05121 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HDAC3 O15379 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC2 Q92769 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 1/20 0.53
GRIK1 P39086 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL10598787 0.88 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL6812211 0.86 CASP1 (0.57) MAPTCYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL6816538 0.86 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL7753930 0.85 MAPT (0.50) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5381695 0.84 MAPT (0.72) MAPTLTC4SSERPINE1MEN1KMT2A
SCHEMBL31541226 0.84 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6545922 0.82 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL11591501 0.82 HDAC1 (0.71) MAPTCYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL1615339 0.82 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL6546897 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1MAPK1PKM

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-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed