SCHEMBL9730240

SCHEMBL9730240

CO[C](C)Cc1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
SLC6A4 P31645 5/20 0.39
KCNH2 Q12809 4/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 4/20 0.38
HTT P42858 1/20 0.37
CXCR3 P49682 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.35
TP53 P04637 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL9729674 0.82 IDO1 (0.47) ALDH1A1
SCHEMBL9729607 0.82 HTT (0.50) ERCC1ERCC4HTTMEN1KMT2A
SCHEMBL434428 0.82 ERCC1 (0.41) ERCC1ERCC4SLC6A4KCNH2SLC6A2
SCHEMBL1525187 0.81 ERCC1 (0.46) ERCC1ERCC4HTTROCK2ROCK1
SCHEMBL13187181 0.79 ERCC1 (0.39) ERCC1ERCC4SLC6A4KCNH2SLC6A2
SCHEMBL19030836 0.79 ERCC1 (0.46) ERCC1ERCC4HTR2AKMT2AL3MBTL1
SCHEMBL9729770 0.79 ALDH1A1 (0.42) SLC6A4KCNH2HTR2AHTTKMT2A
SCHEMBL6505166 0.74 IDO1 (0.41) SLC6A4KCNH2SLC6A2HTR2AHTT
SCHEMBL19030893 0.73 POLQ (0.43) ERCC1ERCC4SLC6A4SLC6A2HTR2A
SCHEMBL29434734 0.73 KEAP1 (0.50) ERCC1ERCC4HTR2ATP53HTR1A

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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed