SCHEMBL9757335

SCHEMBL9757335

CC(=O)Nc1ccc2c3c(cccc13)S(=O)(=O)N2CCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5852509 0.84 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9757489 0.78 HTR7 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9873171 0.78 SIGMAR1 (0.40)
SCHEMBL9757223 0.77 KDM4E (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9757308 0.76 HTR7 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9757507 0.76 TP53 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9635395 0.73 KDM4E (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9757630 0.70 KDM4E (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5852592 0.66 HDAC1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5852574 0.65 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed