SCHEMBL20057528

SCHEMBL20057528

CC(=O)NCC1=CC=CC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MTNR1A P48039 6/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
MTNR1B P49286 4/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL24060802 0.77
SCHEMBL17697086 0.75
SCHEMBL22764783 0.75
SCHEMBL23665538 0.73 HSP90AB1 (0.36) KMT2AALDH1A1MAPTRAB9ATSHR
SCHEMBL13465562 0.73 NPSR1 (0.40) NPSR1KMT2AHDAC1HDAC6MTNR1A
SCHEMBL20706025 0.72
SCHEMBL21122662 0.72
SCHEMBL20351153 0.71 TSHR (0.41) KMT2ATSHRMAPK1HSD17B10TDP1
SCHEMBL9909078 0.70 NAMPT (0.33) NPSR1KMT2AALDH1A1POLBMAPT
SCHEMBL20057559 0.70

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
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed