SCHEMBL12170136

SCHEMBL12170136

CCCCCCCCCCCCc1csc(-c2cc3c(N)c(N)c(-c4cc(CCCCCCCCCCCC)cs4)cc3c(N)c2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ CYP3A4 P08684 2/20 0.34
▸ TNNC1 P63316 5/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ SGPL1 O95470 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ CERS2 Q96G23 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3555634 0.81 PTGS2 (0.48) PTGS2HTR2ACYP3A4TNNC1S1PR1
SCHEMBL2012315 0.81 PTGS2 (0.48) PTGS2HTR2ACYP3A4TNNC1S1PR1
SCHEMBL1323842 0.81 PTGS2 (0.48) PTGS2HTR2ACYP3A4TNNC1S1PR1
SCHEMBL196514 0.81 PTGS2 (0.48) PTGS2HTR2ACYP3A4TNNC1S1PR1
SCHEMBL14351415 0.79 PTGS2 (0.39) PTGS2HTR2ACYP3A4TNNC1S1PR1
SCHEMBL18666095 0.76 PTGS2 (0.34) PTGS2HTR2ACYP3A4ESR1ADRA2A
SCHEMBL18665507 0.76 PTGS2 (0.34) PTGS2HTR2ACYP3A4ESR1ADRA2A
SCHEMBL15458184 0.76 PTGS2 (0.34) PTGS2HTR2ACYP3A4ESR1ADRA2A
SCHEMBL18665493 0.76 PTGS2 (0.34) PTGS2HTR2ACYP3A4ESR1ADRA2A
SCHEMBL12170124 0.76 PTGS2 (0.34) PTGS2HTR2ACYP3A4ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735536-B2 Naphthobisthiadiazole polymers for use in organic semiconductor devices POLYERA CORPORATION (US) 2014-05-27 — — US disclosed
US-8735536-B2 Naphthobisthiadiazole polymers for use in organic semiconductor devices POLYERA CORPORATION (US) 2014-05-27 — — US disclosed
US-20120227812-A1 NAPHTHOBISTHIADIAZOLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES RAYNERGY TEK INC. (TW) 2012-09-13 — — US disclosed
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