SCHEMBL11759949

SCHEMBL11759949

CCN(CCC#N)c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.50
▸ KCNK9 Q9NPC2 5/20 0.50
▸ USP2 O75604 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ BCHE P06276 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL11325806 0.93 KCNK3 (0.55) KCNK3KCNK9USP2HSD17B10RAB9A
SCHEMBL11154551 0.87 POLB (0.52) KCNK3KCNK9USP2HSD17B10RAB9A
SCHEMBL8356134 0.86 KCNK3 (0.63) KCNK3KCNK9USP2BCHERAB9A
SCHEMBL11403004 0.85 KCNK3 (0.55) KCNK3KCNK9USP2BCHERAB9A
SCHEMBL11073915 0.85 ALDH1A1 (0.49) USP2HSD17B10RAB9AGFERALDH1A1
SCHEMBL11153270 0.84 POLB (0.49) USP2HSD17B10RAB9AHPGDGFER
SCHEMBL11335964 0.82 SIRT2 (0.49) KCNK3USP2HSD17B10RAB9ANPC1
SCHEMBL11401277 0.82 ALDH1A1 (0.47) USP2HSD17B10RAB9ANPC1HPGD
SCHEMBL11319993 0.81 SMN1; SMN2 (0.58) HSD17B10RAB9ANPC1HPGDALDH1A1
SCHEMBL10800110 0.81 KCNK3 (0.59) KCNK3KCNK9RAB9ANPC1HPGD

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-4006178-A Process for the manufacture of dicyanovinyl compounds CIBA-GEIGY CORPORATION (US) 1977-02-01 — — US disclosed
Send feedback