SCHEMBL9764370

SCHEMBL9764370

BrCCC#CCOCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
KCNH2 Q12809 1/20 0.39
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL9763493 0.89 TDP1 (0.46) TDP1DRD2HTR2AHTR2CHTR2B
SCHEMBL9764369 0.83 TDP1 (0.45) TDP1KCNH2DRD2HTR2AHTR2C
SCHEMBL10488184 0.77 TDP1 (0.47) TDP1IDO1
SCHEMBL1179386 0.75 TDP1 (0.58) TDP1HTR2ACA1CA2CA9
SCHEMBL9763645 0.75 TDP1 (0.44) TDP1DRD2HTR2AHTR2CHTR2B
SCHEMBL5712931 0.73 TDP1 (0.54) TDP1HTR2ACA1CA2CA9
SCHEMBL15141450 0.72 TDP1 (0.49) TDP1CA1CA2CA9LMNA
SCHEMBL9763680 0.72 TDP1 (0.42) TDP1DRD2HTR2AHTR2CHTR2B
SCHEMBL198134 0.72 TSHR (0.52) TDP1HTR2ACA1CA2CA9
SCHEMBL9411326 0.72 CA1 (0.46) TDP1CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed