SCHEMBL16234790

SCHEMBL16234790

Nc1ccc(C(=O)N2CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA14 Q9ULX7 2/20 0.58
▸ MLYCD O95822 3/20 0.54
▸ HPGD P15428 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ FASN P49327 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20261717 0.86 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL2450111 0.80 GFER (0.63) CA12CA1CA2CA9MLYCD
SCHEMBL18753791 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL1512436 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL264516 0.78 HPGD (0.76) CA12CA1CA2CA7CA9
SCHEMBL4764024 0.78 HPGD (0.69) CA12CA1CA2CA7CA9
SCHEMBL4002018 0.77 CASP6 (0.64) CA12CA1CA2CA7CA9
SCHEMBL110102 0.77 POLB (0.69) CA12CA1CA2CA7CA9
SCHEMBL19313020 0.77 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL19562299 0.77 CA12 (0.50) CA12CA1CA2CA7CA9

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
WO-2014183300-A1 VEGFR TYROSINE KINASE INHIBITORS SUZHOU VIVOTIDE BIOTECHNOLOGIES CO., LTD. (CN) 2014-11-20 — — WO disclosed
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