SCHEMBL7463377

SCHEMBL7463377

CC(C)(C)OC(=O)CCCOc1ccc(NC(=O)Cn2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 3/20 0.42
RXFP1 Q9HBX9 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KCNA5 P22460 2/20 0.38
THRB P10828 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL7472833 0.84 MAPT (0.48) TSHRGAACYP1A2CYP3A4CYP2C9
SCHEMBL7472667 0.82 TP53 (0.42) TP53RXFP1MAPTSMN1; SMN2POLB
SCHEMBL7467388 0.82 PSEN1 (0.42) TSHRHPGDHDAC8ALDH1A1HSD17B10
SCHEMBL7468006 0.80 MAPT (0.46) TSHRGAACYP1A2CYP3A4CYP2C9
SCHEMBL7465212 0.80 PPARG (0.43) RXFP1MAPTALDH1A1SMN1; SMN2
SCHEMBL7463375 0.80 PSEN1 (0.39) KMT2ANPSR1SMN1; SMN2MCL1
SCHEMBL7563746 0.80 MAPT (0.49) TP53RXFP1MAPTMEN1KMT2A
SCHEMBL7461911 0.78 MAPT (0.44) GAATP53MAPTMEN1KMT2A
SCHEMBL7472701 0.78 PSEN1 (0.42) TSHRNPSR1HDAC8ALDH1A1SMN1; SMN2
SCHEMBL7468103 0.78 GAA (0.44) GAATP53MAPTMEN1KMT2A

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-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed