SCHEMBL7469653

SCHEMBL7469653

O=C(Cn1c(=O)n(S(=O)(=O)c2ccccc2)c(=O)c2ccc(Cl)cc21)NN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
OPRK1 P41145 1/20 0.40
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 1/20 0.39
S1PR2 O95136 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPK8 P45983 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
AKR1A1 P14550 2/20 0.38
AKR1B1 P15121 2/20 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
SCHEMBL7467040 0.85 CMA1 (0.43) HDAC6MAPTHTR6HDAC1HDAC8
SCHEMBL7470400 0.85 AKR1B1 (0.49) HDAC6PPARGPPARDPPARAHDAC1
SCHEMBL7563746 0.83 MAPT (0.49) HDAC6MAPTKMT2AS1PR2ALDH1A1
SCHEMBL7465395 0.82 TP53 (0.51) HDAC6MAPTALDH1A1HPGDTHRB
SCHEMBL7463225 0.80 CMA1 (0.42) HDAC6MAPTS1PR2HDAC1HDAC8
SCHEMBL7465874 0.80 AKR1B1 (0.50) HDAC6PPARGPPARDPPARAAKR1A1
SCHEMBL7457276 0.80 MAPT (0.47) MAPTKMT2AALDH1A1HPGDTHRB
SCHEMBL7465240 0.80 CMA1 (0.44) HDAC6PPARGPPARDPPARAKMT2A
SCHEMBL7472833 0.80 MAPT (0.48) MAPTKMT2AALDH1A1THRBSMN1; SMN2
SCHEMBL7459066 0.79 KMT2A (0.54) MAPTKMT2AALDH1A1SMN1; SMN2LMNA

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-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed