SCHEMBL1137758

SCHEMBL1137758

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
MC4R P32245 1/20 0.44
RAD52 P43351 1/20 0.44
DNM1 Q05193 8/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 3/20 0.42
CA2 P00918 4/20 0.41
S1PR3 Q99500 2/20 0.40
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 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
SCHEMBL6238093 0.88 DNM1 (0.59) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL6236064 0.88 DNM1 (0.59) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL6235783 0.88 DNM1 (0.59) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL6235268 0.88 DNM1 (0.59) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL2149974 0.83 MCHR1 (0.47) DNM1SMN1; SMN2HTTS1PR3LMNA
SCHEMBL2150307 0.83 MCHR1 (0.47) DNM1SMN1; SMN2HTTS1PR3LMNA
SCHEMBL2149641 0.83 MCHR1 (0.47) DNM1SMN1; SMN2HTTS1PR3LMNA
Phenolsulfonic Acid SCHEMBL8086594 0.83 LMNA (0.53) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL2150501 0.83 MCHR1 (0.47) DNM1SMN1; SMN2HTTS1PR3LMNA
SCHEMBL330563 0.81 SMN1; SMN2 (0.52) DNM1MEN1KMT2ASMN1; SMN2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888691-B1 PIGMENT PREPARATION BASED ON AN AZO PIGMENT CLARIANT PRODUKTE DEUTSCHLAND (DE) 2011-02-23 EP claimed
US-7855041-B2 Pigment preparation based on an azo pigment CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2010-12-21 US claimed
US-20090305156-A1 Pigment preparation based on an azo pigment CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-12-10 US claimed
EP-1888691-A2 PIGMENT PREPARATION BASED ON AN AZO PIGMENT Clariant Produkte (Deutschland) GmbH (DE) 2008-02-20 EP claimed
WO-2006119847-A2 PIGMENT PREPARATION BASED ON AN AZO PIGMENT CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-11-16 WO claimed