SCHEMBL15927445

SCHEMBL15927445

CC1Cc2ccc(C(=O)CBr)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.46
PTPN1 P18031 6/20 0.45
GNG2 P59768 1/20 0.42
GNB1 P62873 1/20 0.42
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL26317429 0.81 HPGD (0.39) GAATDP1NPC1MAPTRAB9A
SCHEMBL9129362 0.80 GSK3B (0.47) GSK3BPTPN1GNG2GNB1
SCHEMBL9130024 0.78 KDM4E (0.45) GSK3BPTPN1GNG2GNB1GAA
SCHEMBL15927500 0.77 PTPN1 (0.52) GSK3BPTPN1GNG2GNB1TDP1
SCHEMBL15106223 0.75 NPC1 (0.58) GSK3BPTPN1GNG2GNB1NPC1
SCHEMBL23519468 0.75 HDAC8 (0.47) MAPT
SCHEMBL16716449 0.75 CHRNB2 (0.51) GAATDP1NPC1MAPTRAB9A
SCHEMBL15927508 0.75 GSK3B (0.47) GSK3BPTPN1GNG2GNB1
SCHEMBL12937246 0.74 GNG2 (0.46) GSK3BPTPN1GNG2GNB1TDP1
SCHEMBL1182899 0.74 ALDH1A1 (0.61) GSK3BPTPN1GNG2GNB1TDP1

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-2014119617-A1 AMIDINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2014-08-07 WO disclosed