SCHEMBL6161914

SCHEMBL6161914

O=C1CCc2c1c(-c1ccco1)nn2CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 7/20 0.38
TDP1 Q9NUW8 7/20 0.38
MEN1 O00255 7/20 0.38
POLB P06746 7/20 0.38
KMT2A Q03164 7/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
THRB P10828 5/20 0.38
PTPN7 P35236 4/20 0.38
RECQL P46063 4/20 0.38
BLM P54132 4/20 0.38
PKM P14618 2/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
USP2 O75604 2/20 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
SCHEMBL6166254 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6164980 0.80 HTT (0.44) HTT
SCHEMBL6164169 0.79 HTT (0.48) HTTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6167339 0.76 HTT (0.45) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6166050 0.75 HTT (0.47) HTTALDH1A1MAPK1
SCHEMBL6166822 0.75 HTT (0.44) HTTALDH1A1KDM4EMAPTMEN1
SCHEMBL6162358 0.74 HTT (0.46) HTTALDH1A1KDM4EHPGDMAPT
SCHEMBL6164796 0.73 HTT (0.43) HTTALDH1A1HSD17B10MAPTKMT2A
SCHEMBL6164255 0.72 HTT (0.46) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6164630 0.71 HTT (0.41) HTTALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed