SCHEMBL11250595

SCHEMBL11250595

Oc1c(Cl)cc(Cl)cc1-c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 9/20 0.68
NR2E3 Q9Y5X4 1/20 0.52
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
PRSS1 P07477 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
HPGDS O60760 1/20 0.43
NPBWR1 P48145 1/20 0.43
F7 P08709 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
SCHEMBL7396509 0.85 AMY1A (0.75) AMY1ANR2E3F2F10PLG
SCHEMBL15643361 0.83 ALDH1A1 (0.51) AMY1ANPBWR1
SCHEMBL7393988 0.81 F7 (0.55) AMY1AF2F10PLGPLAU
SCHEMBL1171146 0.79 ALDH1A1 (0.53) AMY1AF7
SCHEMBL8669592 0.78 AMY1A (0.49) AMY1AF2F10PLGPLAU
SCHEMBL13405888 0.77 ALDH1A1 (0.71) AMY1ANPBWR1
SCHEMBL10582358 0.77 AMY1A (0.49) AMY1AHDAC6F7
SCHEMBL31289524 0.75 HDAC6 (0.54) AMY1AF2F10PLGPLAU
SCHEMBL13406020 0.75 DGAT1 (0.54) AMY1A
SCHEMBL10041675 0.75 NPC1 (0.62) AMY1ANPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4357476-A Nonylamines CIBA GEIGY CORPORATION, N.Y. (US) 1982-11-02 US disclosed
US-4336270-A BACTERICIDES, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-22 US disclosed
US-4160833-A ANIMAL FEED ADDITIVE AND MICROBIOCIDE CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
US-4139560-A Nonylamines CIBA GEIGY CORPORATION (US) 1979-02-13 US disclosed
US-3991124-A FOR CONTROLLING MICROORGANISMS AND HELMINTHS CIBA-GEIGY CORPORATION (US) 1976-11-09 US disclosed
US-3956402-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed