SCHEMBL16951114

SCHEMBL16951114

CCc1cccc([C](C)CF)c1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.55
▸ GABRB2 P47870 4/20 0.55
▸ CLCN2 P51788 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KAT6A Q92794 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ F2R P25116 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NLRP3 Q96P20 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
SCHEMBL16951825 0.86 GABRA1 (0.38) GABRA1GABRB2HTTBCHELMNA
SCHEMBL16952873 0.84 GABRA1 (0.57) GABRA1GABRB2CLCN2HTTKAT6A
SCHEMBL16958341 0.81 GABRA1 (0.43) GABRA1GABRB2CLCN2HTTKAT6A
SCHEMBL16959503 0.81 KAT6A (0.46) GABRA1GABRB2CLCN2HTTKAT6A
SCHEMBL16951723 0.81 GABRA1 (0.64) GABRA1GABRB2CLCN2HTTKAT6A
SCHEMBL16952951 0.80 GABRA1 (0.42) GABRA1GABRB2CLCN2HTTKAT6A
SCHEMBL16961076 0.79 KMT2A (0.37) GABRA1GABRB2HTTKAT6ABCHE
SCHEMBL5696553 0.79 GABRA1 (0.61) GABRA1GABRB2CLCN2HTTALDH1A1
SCHEMBL16955031 0.79 ALDH1A1 (0.32) GABRA1GABRB2HTTALDH1A1LMNA
SCHEMBL16951272 0.79 GABRA1 (0.41) GABRA1GABRB2CLCN2HTTKAT6A

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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