SCHEMBL9630211

SCHEMBL9630211

O=C(Cl)c1ccc(C(=O)Cl)c(-c2cccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MCL1 Q07820 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SERPINE1 P05121 1/20 0.38
MAPT P10636 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
SCHEMBL4032874 0.83 NR4A1 (0.52) HDAC8HDAC6MCL1ACMSDMEN1
SCHEMBL11436575 0.80 NR4A1 (0.52) HDAC8HDAC6MCL1ACMSDMEN1
SCHEMBL250471 0.79 HSD17B10 (0.56) HDAC8HDAC6MCL1ACMSDMEN1
SCHEMBL1460367 0.78 KDM4E (0.46) HDAC8HDAC6MCL1ACMSDMEN1
SCHEMBL21835145 0.77 HDAC8 (0.66) HDAC8HDAC6MCL1ACMSDALDH1A1
SCHEMBL30698051 0.77 HDAC8 (0.66) HDAC8HDAC6MCL1ACMSDALDH1A1
SCHEMBL18153975 0.76 CES2 (0.50) HDAC8MCL1MEN1KMT2AALDH1A1
SCHEMBL27806445 0.76 RORC (0.54) HDAC8HDAC6MCL1ACMSDMEN1
SCHEMBL11751512 0.75 TYMS (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL11752525 0.75 TYMS (0.43) MEN1KMT2AALDH1A1HPGDKDM4E

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
US-5145938-A PREPARATION OF POLY(ARYLENE ETHER KETONES) RAYCHEM LIMITED (GB) 1992-09-08 US disclosed