SCHEMBL1102369

SCHEMBL1102369

Cc1cc(C)c(-c2cc3c(-c4ccccc4)c4sc(-c5sc(C)cc5C)cc4c(-c4ccccc4)c3s2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PTP4A3 O75365 1/20 0.33
PTP4A2 Q12974 1/20 0.33
PTP4A1 Q93096 1/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 3/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2A P29274 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CHEK1 O14757 1/20 0.32
AKT2 P31751 1/20 0.32

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
SCHEMBL1102370 0.87 ESR1 (0.33) PTGS2JAK2JAK1TYK2JAK3
SCHEMBL14964002 0.81 CHEK1 (0.38) NPC1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL1102374 0.81 NPC1 (0.31) NPC1MAPTHSD17B10ALDH1A1
SCHEMBL25450815 0.80 PTP4A3 (0.31) NPC1MAPTKDM4ESMN1; SMN2PTP4A3
SCHEMBL25450806 0.77 PTGS2 (0.43) NPC1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL15818163 0.77 MAPT (0.51) NPC1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL20248867 0.77 PTP4A3 (0.49) NPC1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL15730462 0.75 PKM (0.31) PKM
SCHEMBL1102375 0.73 ESR1 (0.37)
SCHEMBL14964015 0.72 ACHE (0.39) NPC1MAPTKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153755-B2 Electronic devices XEROX CORPORATION (US) 2012-04-10 US disclosed
US-20110034668-A1 ELECTRONIC DEVICES XEROX CORPORATION (US) 2011-02-10 US disclosed
US-7834132-B2 Electronic devices XEROX CORPORATION (US) 2010-11-16 US disclosed
US-7820782-B2 Poly(dithienylbenzo[1,2-b:4,5-b′]dithiophene) polymers XEROX CORPORATION (US) 2010-10-26 US disclosed
US-20080103286-A1 Poly(dithienylbenzo[1,2-B:4,5-B']dithiophene) polymers XEROX CORPORATION 2008-05-01 US disclosed
US-20080102559-A1 Electronic devices XEROX CORPORATION 2008-05-01 US disclosed