SCHEMBL7776149

SCHEMBL7776149

CCCCCCCCCCCCOc1cc(CC#N)c(SC)cc1CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
BLK P51451 1/20 0.34
RPS6KA3 P51812 1/20 0.34
JAK3 P52333 1/20 0.34
LIMK1 P53667 1/20 0.34

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
SCHEMBL6132225 0.88 ALDH1A1 (0.46) THRBALDH1A1HPGDCHUKDAPK3
SCHEMBL15396940 0.88 ALDH1A1 (0.46) THRBALDH1A1HPGDCHUKDAPK3
SCHEMBL7774228 0.81 ALDH1A1 (0.44) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL9445274 0.72 MAPT (0.48) ALDH1A1HPGDL3MBTL1TLR8MEN1
SCHEMBL9834537 0.70 CYP1A2 (0.46) ALDH1A1HPGDL3MBTL1MEN1NR1I2
SCHEMBL14176618 0.70 ESR1 (0.46) THRATHRBALDH1A1HPGDESR1
SCHEMBL15270507 0.69 ALDH1A1 (0.43) THRATHRBALDH1A1HPGDCHUK
SCHEMBL29771243 0.69 ALDH1A1 (0.43) THRATHRBALDH1A1HPGDCHUK
SCHEMBL31657706 0.69 ALDH1A1 (0.43) THRATHRBALDH1A1HPGDCHUK
SCHEMBL11237619 0.68 HTR2A (0.51) THRBHTTL3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704094-B1 POLYMERS FOR OPTICAL DEVICES CAMBRIDGE DISPLAY TECH LTD (GB) 2001-08-08 EP disclosed
US-5514878-A Polymers for electroluminescent devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 1996-05-07 US disclosed
EP-0704094-A1 POLYMERS FOR OPTICAL DEVICES Cambridge Display Technology Limited (GB) 1996-04-03 EP disclosed
WO-1994029883-A1 POLYMERS FOR OPTICAL DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 1994-12-22 WO disclosed