SCHEMBL20102626

SCHEMBL20102626

CCCCCc1ccc(C(=O)Oc2ccc(N=Nc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 5/20 0.53
▸ ACR P10323 4/20 0.53
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ THRB P10828 2/20 0.51
▸ THRA P10827 1/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RARB P10826 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL21400315 0.94 THRB (0.56) PRSS1ACRMAPTSMN1; SMN2THRB
SCHEMBL20102623 0.92 PRSS1 (0.56) PRSS1ACRMAPTSMN1; SMN2THRB
SCHEMBL9842392 0.92 THRB (0.58) PRSS1ACRMAPTSMN1; SMN2THRB
SCHEMBL3624271 0.92 THRB (0.58) PRSS1ACRMAPTSMN1; SMN2THRB
SCHEMBL13783616 0.91 THRB (0.58) MAPTSMN1; SMN2THRBTHRANPC1
SCHEMBL18434843 0.91 THRB (0.58) MAPTSMN1; SMN2THRBTHRANPC1
SCHEMBL15373862 0.91 THRB (0.58) MAPTSMN1; SMN2THRBTHRANPC1
SCHEMBL11964524 0.91 THRB (0.58) MAPTSMN1; SMN2THRBTHRANPC1
SCHEMBL16073026 0.91 THRB (0.58) MAPTSMN1; SMN2THRBTHRANPC1
SCHEMBL12125123 0.91 THRB (0.58) MAPTSMN1; SMN2THRBTHRANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180120650-A1 LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL DISPLAY PANEL AND MANUFACTURE METHOD OF LIQUID CRYSTAL DISPLAY PANEL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-05-03 — — US disclosed
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