SCHEMBL11684047

SCHEMBL11684047

Fc1cc(C(Cl)(Cl)Cl)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM1A O60341 2/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL28025472 0.87 TSHR (0.41) TDP1TSHRCYP3A4MAPK1
SCHEMBL23591340 0.85 TDP1 (0.44) TDP1TSHRCYP3A4MAPK1KDM1A
SCHEMBL31092645 0.85 TDP1 (0.44) TDP1TSHRCYP3A4MAPK1KDM1A
SCHEMBL7555551 0.85 TDP1 (0.44) TDP1TSHRCYP3A4MAPK1KDM1A
SCHEMBL7057611 0.82 TSHR (0.46) TDP1TSHRCYP3A4MAPK1
SCHEMBL8975115 0.81 CYP3A4 (0.33) TDP1TSHRCYP3A4MAPK1
SCHEMBL30409600 0.81 CYP3A4 (0.33) TDP1TSHRCYP3A4MAPK1
SCHEMBL27339318 0.79 TSHR (0.42) TDP1TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL11601194 0.78 CYP3A4 (0.35) TDP1TSHRCYP3A4MAPK1
SCHEMBL17083895 0.78 POLB (0.36) TDP1KDM1AKDM1BALDH1A1MAPT

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-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 — — US disclosed
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