SCHEMBL18657400

SCHEMBL18657400

N=C(C(=N)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ CES2 O00748 3/20 0.52
▸ CES1 P23141 3/20 0.52
▸ TSHR P16473 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ GSK3B P49841 2/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ IDO1 P14902 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39

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
SCHEMBL27427886 0.82 ALOX15 (0.58) LMNACES2CES1TSHRMAPK1
SCHEMBL10605179 0.81 LMNA (0.59) LMNACES2CES1TSHRMAPK1
SCHEMBL7671018 0.79 LMNA (0.56) LMNACES2CES1TSHRMAPK1
SCHEMBL10993874 0.79 LMNA (0.56) LMNACES2CES1TSHRMAPK1
SCHEMBL29733438 0.79 LMNA (0.56) LMNACES2CES1TSHRMAPK1
SCHEMBL1219593 0.77 LMNA (0.95) LMNAALDH1A1
SCHEMBL8296748 0.77 LMNA (0.54) LMNACES2CES1TSHRMAPK1
SCHEMBL10756203 0.77 LMNA (0.54) LMNACES2CES1TSHRMAPK1
SCHEMBL12855290 0.76 LMNA (0.48) LMNACES2CES1TSHRMAPK1
SCHEMBL19309855 0.75 ALDH1A1 (0.49) LMNACES2CES1TSHRL3MBTL1

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
EP-2749585-B1 BLOCK COPOLYMER, MANUFACTURING METHOD THEREFOR, AND POLYMER ELECTROLYTE MATERIAL, MOLDED POLYMER ELECTROLYTE, AND SOLID-POLYMER FUEL CELL USING SAID BLOCK COPOLYMER TORAY INDUSTRIES (JP) 2017-03-22 — — EP disclosed
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