SCHEMBL21612977

SCHEMBL21612977

NC(=O)Oc1ccc(Oc2cc[nH]n2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.34
▸ SCN9A Q15858 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ICAM1 P05362 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ SCN8A Q9UQD0 4/20 0.31
▸ SCN10A Q9Y5Y9 4/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ FFAR1 O14842 2/20 0.30
▸ PPARD Q03181 2/20 0.30
▸ PPARG P37231 1/20 0.30
▸ FPR2 P25090 1/20 0.30

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
SCHEMBL24037921 0.75 ALDH1A1 (0.38) MEN1KMT2ATRPA1HAO1
SCHEMBL6032672 0.73 MET (0.52) MET
SCHEMBL23355336 0.73 KDR (0.38) —
SCHEMBL2925168 0.72 — —
SCHEMBL2934749 0.71 MET (0.40) SCN4ASCN9AMET
SCHEMBL29177399 0.71 EPHX2 (0.45) MEN1KMT2ASCN8ASCN10AKIF11
SCHEMBL28116973 0.71 MEN1 (0.38) SCN4ASCN9AMEN1KMT2APARP10
SCHEMBL6172318 0.69 CES2 (0.45) SCN4AMEN1KMT2A
SCHEMBL27777720 0.69 KMT2A (0.47) MEN1KMT2AKIF11
SCHEMBL28540608 0.69 KDM4C (0.32) —

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-2020009156-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE 第一三共株式会社 2020-01-09 — — WO disclosed
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