SCHEMBL15955502

SCHEMBL15955502

Nc1c(Cl)cc(Oc2ccccc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.52
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RHEB Q15382 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ GAA P10253 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
SCHEMBL943194 0.86 ALDH1A1 (0.55) TSHRMAOAMAOBMEN1KMT2A
SCHEMBL3795020 0.79 MAOA (0.54) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL15955916 0.79 TEAD4 (0.57) TSHRMAOAMAOBMEN1KMT2A
SCHEMBL15955765 0.79 LTA4H (0.48) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL9644240 0.78 LTA4H (0.52) LTA4HTSHRMAOBMEN1KMT2A
SCHEMBL15955638 0.78 LTA4H (0.46) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL15955920 0.77 ALDH1A1 (0.41) TSHRMEN1KMT2AMAPTTDP1
SCHEMBL9650928 0.76 CYP1A2 (0.56) MAOAMAOBMEN1KMT2AMAPT
Diphenylether SCHEMBL18588103 0.76 LTA4H (0.71) LTA4HTSHRMAOAMAOBCYP3A4
SCHEMBL10614755 0.76 KMO (0.62) LTA4HTSHRMAOAMAOBMEN1

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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