SCHEMBL11038159

SCHEMBL11038159

N#Cc1cc2c(c(C#N)c1N)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.41
▸ KDM4E B2RXH2 9/20 0.41
▸ HSD17B10 Q99714 6/20 0.41
▸ HPGD P15428 5/20 0.41
▸ GAA P10253 4/20 0.41
▸ ALOX15 P16050 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ BPTF Q12830 2/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL13091633 0.84 KDM4E (0.40) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL25837417 0.80 KDM4E (0.37) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL28308270 0.73 KDM4E (0.48) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29618371 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL1506500 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL19474937 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29256173 0.69 XDH (0.36) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL19931603 0.68 KDM4E (0.46) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29741173 0.68 BPTF (0.36) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL6231710 0.68 ACHE (0.42) ALDH1A1KDM4EGAAMAPK1LMNA

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-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 — — US disclosed
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 — — EP disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 — — US disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 — — EP disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 — — US disclosed
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