SCHEMBL20406479

SCHEMBL20406479

CCc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)CN2CCOCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NFE2L2 Q16236 4/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ AOC2 O75106 1/20 0.32
▸ LIPE Q05469 1/20 0.32

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
SCHEMBL20394481 0.87 CYP2D6 (0.42) MEN1KMT2A
SCHEMBL20406475 0.81 KMT2A (0.40) MEN1KMT2AP2RY1
SCHEMBL18661502 0.81 PDE10A (0.39) MEN1KMT2ASCN9ALIPE
SCHEMBL20406684 0.80 AOC3 (0.41) ELANE
SCHEMBL20406442 0.77 RORC (0.32) MEN1KMT2AELANEP2RY1
SCHEMBL20406690 0.73 PDE10A (0.38) MEN1KMT2ASCN9ALIPE
SCHEMBL20394318 0.71 PDE10A (0.38) MEN1KMT2ASCN9ALIPE
SCHEMBL20406375 0.71 P2RY1 (0.39) P2RY1KCNH2
SCHEMBL20406391 0.71 MEN1 (0.46) MEN1KMT2ASCN9AP2RY1LIPE
SCHEMBL18661344 0.70 PDE10A (0.39) KMT2AELANE

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
Send feedback