SCHEMBL20406602

SCHEMBL20406602

COCC(C)(C)c1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ DRD1 P21728 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ GCK P35557 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL20406303 0.85 MEN1 (0.46) PDE10AMEN1KMT2ADRD1GCK
SCHEMBL20406151 0.83 PDE10A (0.45) PDE10AMEN1KMT2A
SCHEMBL20406196 0.80 PDE10A (0.43) PDE10AMEN1KMT2ADRD1GCK
SCHEMBL20406219 0.78 PDE10A (0.46) PDE10AMAPTALDH1A1
SCHEMBL20406612 0.78 PDE10A (0.48) PDE10AMEN1KMT2ADRD1TDP1
SCHEMBL20406603 0.76 PDE10A (0.46) PDE10ADRD1TDP1RAB9AALDH1A1
SCHEMBL20394521 0.75 PDE10A (0.52) PDE10AMEN1KMT2AKDM4CMAPT
SCHEMBL20406262 0.75 PDE10A (0.42) PDE10AMEN1KMT2ADRD1MAPT
SCHEMBL7910614 0.75 KMT2A (0.59) PDE10AMEN1KMT2ADRD1GCK
SCHEMBL20406238 0.75 PDE10A (0.48) PDE10AMEN1KMT2ADRD1GCK

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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