SCHEMBL6711282

SCHEMBL6711282

Cc1cc(C)c(-c2cc(N)ccc2N)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.46
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 9/20 0.43
PLA2G7 Q13093 1/20 0.39
TSHR P16473 4/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
THRB P10828 2/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
ACHE P22303 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL3220412 0.82 POLB (0.45) CASP1PDE10AALDH1A1PLA2G7TSHR
SCHEMBL6573199 0.80 CASP1 (0.43) CASP1PDE10AALDH1A1PLA2G7TSHR
SCHEMBL6571968 0.79 CASP1 (0.52) CASP1PDE10AALDH1A1PLA2G7TSHR
SCHEMBL28543486 0.78 CASP1 (0.44) CASP1PDE10AALDH1A1PLA2G7TSHR
SCHEMBL5684615 0.78 TSHR (0.57) CASP1PDE10AALDH1A1TSHRCYP3A4
Hydrochloric Acid SCHEMBL6572314 0.77 CASP1 (0.43) CASP1PDE10AALDH1A1PLA2G7TSHR
SCHEMBL6637111 0.77 ALDH1A1 (0.50) CASP1ALDH1A1CYP3A4KDM4EMAPT
Hydrochloric Acid SCHEMBL6574671 0.76 ALDH1A1 (0.46) CASP1PDE10AALDH1A1PLA2G7TSHR
SCHEMBL3338155 0.74 CASP1 (0.46) CASP1PDE10AALDH1A1TSHRCYP3A4
SCHEMBL7684845 0.73 ALDH1A1 (0.50) CASP1PDE10AALDH1A1PLA2G7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040109955-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-06-10 US disclosed
EP-1394188-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-03 EP disclosed