SCHEMBL15955536

SCHEMBL15955536

Nc1c(Cl)cc(Oc2ccccc2F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ MAP4K4 O95819 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ HTR2A P28223 3/20 0.36

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
SCHEMBL18332252 0.83 PARP10 (0.50) PARP10MEN1KMT2AALDH1A1ESR1
SCHEMBL16792540 0.83 PARP10 (0.47) PARP10MEN1KMT2AALDH1A1CYP3A4
SCHEMBL15955754 0.81 PARP10 (0.43) PARP10MEN1KMT2AALDH1A1ESR1
SCHEMBL15955628 0.79 SLC6A4 (0.44) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL10882722 0.76 ALDH1A1 (0.44) PARP10MEN1KMT2AALDH1A1ESR1
SCHEMBL18181867 0.76 AR (0.50) PARP10KMT2AALDH1A1ESR1CYP3A4
SCHEMBL18332182 0.76 ALDH1A1 (0.44) PARP10MEN1KMT2AALDH1A1ESR1
SCHEMBL15956628 0.76 HSPB1 (0.50) PARP10MEN1KMT2AALDH1A1HSPB1
SCHEMBL16792677 0.76 PARP10 (0.44) PARP10MEN1KMT2AALDH1A1GCK
SCHEMBL15955502 0.75 LTA4H (0.52) MEN1KMT2AALDH1A1CYP3A4CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 — — WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 — — WO disclosed
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