SCHEMBL9770953

SCHEMBL9770953

O=C(OC1CCCC1)c1cc(NC(=S)N2CCCC=N2)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.35
WDR5 P61964 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
GPR35 Q9HC97 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL9770931 0.84 MAPT (0.43) HPGDGAAWDR5SMN1; SMN2MAPT
SCHEMBL9770963 0.77 SLC6A3 (0.34) HPGDPOLBGAASMN1; SMN2NPC1
SCHEMBL9770913 0.75 ALDH1A1 (0.34) HPGDPOLBGAASMN1; SMN2MAPT
SCHEMBL9770873 0.75 KMT2A (0.33) HPGDPOLBGAASMN1; SMN2NPC1
SCHEMBL9770973 0.75 PPOX (0.36) HPGDPOLBGAARAB9AMAPT
SCHEMBL9770999 0.72 ALDH1A1 (0.31) POLBLMNAALDH1A1
SCHEMBL10410242 0.67 NPC1 (0.43) HPGDPOLBGAAWDR5SMN1; SMN2
SCHEMBL9242888 0.67 NPC1 (0.49) HPGDPOLBGAASMN1; SMN2NPC1
SCHEMBL9770926 0.66 CYP19A1 (0.33)
SCHEMBL9770905 0.64 NAAA (0.39) HPGDPOLBGAASMN1; SMN2NPC1

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
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed