SCHEMBL20406376

SCHEMBL20406376

CCC(C)c1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ DRD1 P21728 1/20 0.39

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
SCHEMBL20406250 0.85 PDE10A (0.45) PDE10AMEN1KMT2ARAB9ATDP1
SCHEMBL20406345 0.79 PDE10A (0.45) PDE10AALDH1A1MEN1KMT2ARAB9A
SCHEMBL20406089 0.79 L3MBTL1 (0.49) PDE10AALDH1A1MEN1KMT2ANPC1
SCHEMBL20406612 0.77 PDE10A (0.48) PDE10AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7910614 0.77 KMT2A (0.59) PDE10AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20406212 0.77 PDE10A (0.43) PDE10AALDH1A1MEN1KMT2ARAB9A
SCHEMBL4008329 0.74 PDE10A (0.51) PDE10AALDH1A1TSHRMEN1KMT2A
SCHEMBL20406610 0.73 PDE10A (0.51) PDE10AMEN1KMT2ARAB9ATDP1
SCHEMBL20406238 0.73 PDE10A (0.48) PDE10AALDH1A1MEN1KMT2ARAB9A
SCHEMBL2488534 0.73 RAB9A (0.56) PDE10AALDH1A1MEN1KMT2ACYP1A2

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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