SCHEMBL11507047

SCHEMBL11507047

N#CNc1cccc(-c2csc(-c3nc(-c4cccc(NC#N)c4)cs3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 2/20 0.46
▸ CDC25A P30304 2/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CDC25C P30307 1/20 0.44
▸ CYP19A1 P11511 2/20 0.43

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
SCHEMBL8985210 0.82 HSD17B1 (0.50) HSD17B1HSD17B2MAPTSMN1; SMN2MEN1
SCHEMBL3609594 0.78 MAPT (0.48) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL3943459 0.76 BRAF (0.33) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL11508434 0.73 BRAF (0.37) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
Nitric Acid SCHEMBL11245882 0.72 CSNK2A1 (0.48) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL1858562 0.72 EIF4E (0.61) HSD17B1HSD17B2MAPTSMN1; SMN2MEN1
SCHEMBL8985182 0.70 ALDH1A1 (0.42) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL11508548 0.69 TSHR (0.51) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL11614949 0.68 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19196215 0.68 MAPT (0.58) MAPTSMN1; SMN2HTTMEN1KMT2A

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-4150051-A N-Cyanosulfonamide compounds CIBA-GEIGY CORPORATION (US) 1979-04-17 — — US disclosed
US-4080483-A COATINGS, MOLDING MATERIALS, LAMINATION CIBA-GEIGY CORPORATION (US) 1978-03-21 — — US disclosed
US-4075185-A ADDITION POLYMERIZATION CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US disclosed
US-4049711-A POLYSULFONAMIDE MONOMERS CIBA-GEIGY CORPORATION (US) 1977-09-20 — — US disclosed
US-3944526-A N-cyanosulfonamide resins and intermediates therefor and products thereof CIBA-GEIGY CORPORATION (US) 1976-03-16 — — US disclosed
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