SCHEMBL8342174

SCHEMBL8342174

CNC1CCN(S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
HSD17B10 Q99714 1/20 0.63
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.57
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
Hydrochloric Acid SCHEMBL4438401 0.98 HPGD (0.61) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL12424630 0.83 POLB (0.74) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL22089504 0.82 MAPT (0.56) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL15014074 0.80 NPSR1 (0.64) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL735675 0.80 TSHR (0.81) HPGDALDH1A1TSHRPOLBKMT2A
SCHEMBL7239112 0.80 HPGD (0.65) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL28949192 0.80 HPGD (0.68) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL12384638 0.79 NPSR1 (0.60) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL1983277 0.78 HPGD (0.63) HPGDNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL13181084 0.78 HDAC3 (0.65) HPGDNPSR1ALDH1A1MAPTHSD17B10

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-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed