SCHEMBL15025946

SCHEMBL15025946

CC(C)(C)c1ccc(N(c2ccc(CCCCc3ccc(Br)cc3)cc2)c2ccc(CCCCc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 5/20 0.43
TAAR1 Q96RJ0 3/20 0.42
ESRRG P62508 1/20 0.38
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HTR2A P28223 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
STS P08842 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HMOX1 P09601 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
SCHEMBL9956810 0.86 TSHR (0.42) KCNH2LMNANR1H4NPC1MAPK1
SCHEMBL800957 0.86 TSHR (0.42) KCNH2LMNANR1H4NPC1MAPK1
SCHEMBL4263451 0.86 TSHR (0.42) KCNH2LMNANR1H4NPC1MAPK1
SCHEMBL13322019 0.85 KCNH2 (0.57) KCNH2LMNASIGMAR1HTR2ASTS
SCHEMBL7655510 0.84 KCNH2 (0.56) KCNH2LMNASIGMAR1ESRRGSTS
SCHEMBL12752951 0.84 KCNH2 (0.56) KCNH2LMNASIGMAR1ESRRGSTS
SCHEMBL5017885 0.81 ESR1 (0.53) KCNH2LMNATAAR1HTR2ANPC1
SCHEMBL15025953 0.81 ALDH1A1 (0.48) TAAR1POLBCTDSP1HTR2ANPC1
SCHEMBL16026044 0.81 ESR1 (0.53) KCNH2LMNATAAR1HTR2ANPC1
SCHEMBL13321987 0.81 ESR1 (0.53) KCNH2LMNATAAR1HTR2ANPC1

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
US-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed