SCHEMBL20406531

SCHEMBL20406531

CC(=O)c1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.58
▸ RAB9A P51151 4/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAOB P27338 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DRD1 P21728 1/20 0.43

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
SCHEMBL13331058 0.85 PDE10A (0.56) PDE10ARAB9AMAPTSMN1; SMN2TDP1
SCHEMBL2458300 0.82 PDE10A (0.53) PDE10ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11814538 0.81 TDP1 (0.57) PDE10ARAB9AMAPTHPGDTDP1
SCHEMBL3699763 0.79 RAB9A (0.70) RAB9AMAPTHPGDTDP1KDM4E
SCHEMBL11814208 0.79 RAB9A (0.55) PDE10ARAB9AMAPTHPGDNPC1
SCHEMBL20406235 0.79 MAPT (0.47) PDE10ARAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL20406610 0.79 PDE10A (0.51) PDE10ARAB9ATDP1MEN1KMT2A
SCHEMBL20406612 0.79 PDE10A (0.48) PDE10ARAB9AMAPTHPGDNPC1
SCHEMBL7910614 0.79 KMT2A (0.59) PDE10AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL31395507 0.79 PDE10A (0.51) PDE10ARAB9ATDP1MEN1KMT2A

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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