SCHEMBL10018490

SCHEMBL10018490

C=Cc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
BTK Q06187 4/20 0.33
TGFBR1 P36897 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MGAT2 Q10469 1/20 0.32
DHFR P00374 1/20 0.31
CYP17A1 P05093 3/20 0.31
CYP1A2 P05177 3/20 0.31
MAPT P10636 1/20 0.31
AOC3 Q16853 2/20 0.31
GRM4 Q14833 1/20 0.30
MTOR P42345 1/20 0.30
BLK P51451 1/20 0.30
BMX P51813 1/20 0.30
JAK3 P52333 1/20 0.30
CDC7 O00311 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
SCHEMBL10018487 0.87 ADH5 (0.36) HTTBTKAOC3
SCHEMBL12086575 0.86 HTT (0.32) HTTMAPT
SCHEMBL16482337 0.84 RPS6KA3 (0.41) HTTBTKTP53MEN1KMT2A
SCHEMBL16482338 0.84 AOC3 (0.33) HTTBTKTDP1MEN1KMT2A
SCHEMBL16482012 0.82 MEN1 (0.38) HTTTDP1MEN1KMT2ACYP1A2
SCHEMBL13098376 0.81 AOC3 (0.36) HTTDHFRAOC3GRM4
SCHEMBL16482132 0.81 MGAT2 (0.52) MGAT2CYP17A1CYP1A2
SCHEMBL5028258 0.80 CYP19A1 (0.38) CYP17A1CYP1A2AOC3
SCHEMBL16482061 0.80 PRKCI (0.44) HTTMGAT2AOC3MTOR
SCHEMBL10018491 0.79 HTR7 (0.37) HTTMGAT2CYP1A2MAPTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101699-B2 Electron-transporting polymers GENERAL ELECTRIC COMPANY (US) 2012-01-24 US disclosed
US-8101699-B2 Electron-transporting polymers GENERAL ELECTRIC COMPANY (US) 2012-01-24 US disclosed
WO-2010065515-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-10 WO disclosed
US-20100137538-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-03 US disclosed
US-20100137538-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-03 US disclosed