SCHEMBL20406442

SCHEMBL20406442

C#CCCCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2CC)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ DRD1 P21728 3/20 0.31
▸ P2RY1 P47900 2/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ ELANE P08246 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
SCHEMBL20406475 0.84 KMT2A (0.40) RORCMEN1KMT2AP2RY1PDE10A
SCHEMBL18661502 0.83 PDE10A (0.39) RORCMEN1KMT2ADRD1PDE10A
SCHEMBL20406468 0.79 P2RY1 (0.35) RORCDRD1P2RY1
SCHEMBL20406479 0.77 MEN1 (0.35) MEN1KMT2AP2RY1ELANE
SCHEMBL20406690 0.75 PDE10A (0.38) RORCMEN1KMT2APDE10A
SCHEMBL20406792 0.73 PDE10A (0.36) PDE10AGPBAR1
SCHEMBL20394318 0.73 PDE10A (0.38) MEN1KMT2APDE10A
SCHEMBL20406590 0.73 FEN1 (0.37) RORC
SCHEMBL20406375 0.73 P2RY1 (0.39) RORCDRD1P2RY1PDE10A
SCHEMBL20406391 0.73 MEN1 (0.46) MEN1KMT2AP2RY1PDE10A

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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