SCHEMBL5320294

SCHEMBL5320294

CC(=O)c1ccc([S+]([O-])c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
NLRP1 Q9C000 1/20 0.53
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL1576901 0.90 MAPK1 (0.48) KMT2AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28193245 0.83 MAPT (0.69) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL17187946 0.83 MAPT (0.69) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL75640 0.83 MAPT (0.69) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL4102019 0.82 HSD17B1 (0.61) KMT2AMAPTRAB9ASMN1; SMN2HTT
SCHEMBL6956930 0.82 MAPT (0.55) KMT2AMAPTRAB9ASMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL17180520 0.81 MAPT (0.67) KMT2AMAPTMEN1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27858043 0.81 MAPT (0.67) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL7929382 0.81 MAOB (0.47) KMT2AMAPTRAB9ASMN1; SMN2NPC1
Nitrogen SCHEMBL27858242 0.79 MAPT (0.64) KMT2AMAPTMEN1RAB9ASMN1; SMN2

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
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed