SCHEMBL9878288

SCHEMBL9878288

O=[N+]([O-])c1ccc(NCCc2ccccc2)c(S(=O)(=O)CCO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
POLB P06746 1/20 0.60
PKM P14618 4/20 0.58
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
MAPK1 P28482 2/20 0.53
TRPA1 O75762 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
CDK2 P24941 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CCNC P24863 1/20 0.51

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
SCHEMBL9877922 0.87 KMT2A (0.58) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL29597632 0.87 KMT2A (0.58) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL9877899 0.84 ALDH1A1 (0.62) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL9878203 0.83 ALDH1A1 (0.50) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL10622787 0.83 ALDH1A1 (0.61) MAPTKMT2AALDH1A1MEN1NPC1
SCHEMBL10351576 0.81 KAT2B (0.54) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL9877842 0.81 L3MBTL1 (0.46) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL10356896 0.81 KMT2A (0.51) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL10622750 0.81 ALDH1A1 (0.54) MAPTPOLBPKMKMT2AALDH1A1
SCHEMBL9878286 0.81 MAPT (0.60) MAPTPOLBPKMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0171611-B1 SUBSTITUTED PHENYLOXETHYL SULPHONES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP disclosed
EP-0171611-A1 Substituted phenyloxethyl sulphones and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-19 EP disclosed