SCHEMBL30117873

SCHEMBL30117873

O=C(Nc1cccnc1Cl)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.79
NPC1 O15118 7/20 0.79
KMT2A Q03164 5/20 0.69
POLB P06746 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 1/20 0.63
RECQL P46063 1/20 0.63
CASP6 P55212 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KDR P35968 1/20 0.63
HTT P42858 2/20 0.62

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
SCHEMBL3096372 1.00 RAB9A (0.79) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL1520680 0.89 RAB9A (0.77) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL9867050 0.89 RAB9A (1.00) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL14082273 0.88 RAB9A (0.72) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL14542182 0.86 RAB9A (0.78) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL27578898 0.85 KDR (0.65) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL11837615 0.84 RAB9A (0.76) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL11837609 0.84 RAB9A (0.76) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL979284 0.83 RAB9A (0.74) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL9868569 0.83 RAB9A (0.74) RAB9ANPC1KMT2APOLBALDH1A1

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
CN-112430216-B Preparation method of benzimidazole compound in pesticide 六夫丁作物保护有限公司 2022-12-09 CN disclosed