SCHEMBL9155779

SCHEMBL9155779

O=C(O)c1c(-c2ccc(Cl)cc2)ccnc1S

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.46
ANO1 Q5XXA6 5/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAP4K4 O95819 3/20 0.40
AHR P35869 1/20 0.40
CYP3A4 P08684 2/20 0.39
DHODH Q02127 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
FYN P06241 1/20 0.39
THRB P10828 1/20 0.37

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
SCHEMBL4518271 0.83 KMO (0.49) KMOANO1MAPTNPC1RAB9A
SCHEMBL9157192 0.81 KMO (0.46) KMOANO1MAPTNPC1RAB9A
SCHEMBL9163109 0.77 KMT2A (0.46) KMOALDH1A1MAP4K4CYP2C9
SCHEMBL2224497 0.71 SMN1; SMN2 (0.46) KMOMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11024689 0.71 KDM4E (0.38) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL4514183 0.71 DHODH (0.46) KMORAB9ASMN1; SMN2KDM4EMAP4K4
SCHEMBL27237667 0.71 KMO (0.46) KMOMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4520576 0.71 DHODH (0.48) SMN1; SMN2MAP4K4DHODH
SCHEMBL11421166 0.70 DPP4 (0.48) ANO1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5333974 0.70 NPC1 (0.47) KMOANO1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385880-A Pyridine derivative herbicidal composition containing the same, and method for killing weeds KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-31 US disclosed
US-5380700-A Pyridine derivatives, herbicidal composition containing the same, and method for killing weeds KUMIAI CHEMICAL INDUSTRIES CO., LTD. (JP) 1995-01-10 US disclosed
EP-0532761-A1 PYRIDINE DERIVATIVE, PRODUCTION THEREOF, HERBICIDE AND METHOD OF WEEDING KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-03-24 EP disclosed