SCHEMBL9770873

SCHEMBL9770873

COC(=O)CSc1cc(NC(=S)N2CCCC=N2)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 2/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
MEN1 O00255 1/20 0.30
CXCR1 P25024 1/20 0.30

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
SCHEMBL9770917 0.85 ALDH1A1 (0.44) KMT2AALDH1A1GAAMAPTHPGD
SCHEMBL9770869 0.83 HDAC3 (0.38) KMT2AALDH1A1POLBPRNPRXFP1
SCHEMBL9094743 0.80 ALDH1A1 (0.34) KMT2AALDH1A1POLBPRNPRXFP1
SCHEMBL9770913 0.79 ALDH1A1 (0.34) KMT2AALDH1A1POLBGAASMN1; SMN2
SCHEMBL9824163 0.79 KMT2A (0.35) KMT2AALDH1A1POLBPRNPRXFP1
SCHEMBL9770931 0.79 MAPT (0.43) KMT2AALDH1A1GAASMN1; SMN2MAPT
SCHEMBL9042774 0.78 ALDH1A1 (0.34) KMT2AALDH1A1POLBPRNPRXFP1
SCHEMBL9770973 0.75 PPOX (0.36) KMT2AALDH1A1POLBGAARAB9A
SCHEMBL9770999 0.75 ALDH1A1 (0.31) KMT2AALDH1A1POLBLMNA
SCHEMBL9770924 0.74 PDGFRB (0.40) KMT2AALDH1A1POLBGAASMN1; SMN2

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed