SCHEMBL20406664

SCHEMBL20406664

OCC(F)(F)c1ccc(Oc2ncncc2Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL20406318 0.84 ICAM1 (0.38) SCN9A
SCHEMBL20406662 0.83 TRPA1 (0.33) CSF1RSCN9A
SCHEMBL20406169 0.82 PDE10A (0.39) SCN9A
SCHEMBL20406320 0.74 EGFR (0.32) —
SCHEMBL20406586 0.72 MEN1 (0.37) SCN9A
SCHEMBL20406321 0.71 ALDH1A1 (0.36) CSF1R
SCHEMBL31395363 0.71 TRPA1 (0.49) —
SCHEMBL17583157 0.71 GRIN2B (0.40) SCN9AGRIN2B
SCHEMBL20755006 0.71 HDAC1 (0.34) SCN9A
SCHEMBL20406282 0.70 SCN9A (0.31) SCN9A

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-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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