SCHEMBL27909018

SCHEMBL27909018

COc1cc(C(N)=O)ccc1CCF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.55
▸ TSHR P16473 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ TPMT P51580 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL28016859 0.86 MAPK1 (0.56) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL19905393 0.86 MAPK1 (0.60) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL9448273 0.83 MAPK1 (0.66) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL13451040 0.82 MAPK1 (0.59) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL16533219 0.81 MAPK1 (0.58) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL27909012 0.79 PARP1 (0.42) MAPK1TSHRCYP1A2KMT2APARP1
SCHEMBL10130619 0.78 MAPK1 (0.55) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4249981 0.77 MAPK1 (0.55) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL335681 0.77 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29415167 0.77 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9

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
CN-103189373-B The Triazolopyridine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 — — CN disclosed
CN-103189373-A Substituted triazolopyridines BAYER IP GMBH 2013-07-03 — — CN disclosed
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