SCHEMBL11325806

SCHEMBL11325806

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 9/20 0.55
▸ KCNK9 Q9NPC2 5/20 0.55
▸ USP2 O75604 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL11759949 0.93 KCNK3 (0.50) KCNK3KCNK9USP2HSD17B10RAB9A
SCHEMBL11154551 0.92 POLB (0.52) KCNK3KCNK9USP2HSD17B10RAB9A
SCHEMBL11335964 0.89 SIRT2 (0.49) KCNK3USP2HSD17B10RAB9ANPC1
SCHEMBL11867225 0.84 KCNK3 (0.61) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL10383523 0.83 HSD17B10 (0.50) USP2HSD17B10RAB9AHPGDKMT2A
SCHEMBL10800110 0.83 KCNK3 (0.59) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL11795444 0.81 RAB9A (0.58) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL11709369 0.80 KCNK3 (0.64) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL8356134 0.80 KCNK3 (0.63) KCNK3KCNK9USP2RAB9ANPC1
SCHEMBL11329299 0.79 LMNA (0.55) USP2HSD17B10RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 — — US disclosed
EP-0014031-A1 Water-soluble monoazo dyes of the azobenzene series, their preparation and process for the colouration of polyamide textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-08-06 — — EP disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 — — US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 — — US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 — — US disclosed
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