SCHEMBL20406475

SCHEMBL20406475

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RORC P51449 1/20 0.36
▸ P2RY1 P47900 2/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18661502 0.89 PDE10A (0.39) KMT2AMEN1RORCGPBAR1PDE10A
SCHEMBL20394297 0.86 ABL1 (0.41) KMT2AMEN1GPBAR1PDE10A
SCHEMBL20394448 0.85 PDE10A (0.45) PDE10AL3MBTL1MAPTNPSR1
SCHEMBL20406442 0.84 RORC (0.32) KMT2AMEN1RORCP2RY1GPBAR1
SCHEMBL20406391 0.82 MEN1 (0.46) KMT2AMEN1P2RY1PDE10A
SCHEMBL20406479 0.81 MEN1 (0.35) KMT2AMEN1P2RY1
SCHEMBL20406690 0.80 PDE10A (0.38) KMT2AMEN1RORCPDE10A
SCHEMBL20394306 0.79 FEN1 (0.35) GPBAR1PDE10AMAPTNPSR1
SCHEMBL20394474 0.79 SYK (0.41) GPBAR1PDE10AMAPTNPSR1
SCHEMBL20406169 0.78 PDE10A (0.39) KMT2AMEN1PDE10AMAPT

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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