SCHEMBL6235584

SCHEMBL6235584

O=C(O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NR1I2 O75469 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPK14 Q16539 1/20 0.62
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
PKM P14618 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SCD O00767 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL5200654 0.91 LMNA (0.52) LMNAMEN1KMT2ANR1I2CYP1A2
SCHEMBL5348039 0.90 LMNA (0.51) LMNAMEN1KMT2ANR1I2CYP1A2
SCHEMBL11359812 0.89 LMNA (0.77) LMNAMEN1KMT2ANR1I2CYP1A2
Fenbendazole SCHEMBL3988034 0.87 LMNA (0.82) LMNAMEN1KMT2ANR1I2CYP1A2
Fenbendazole SCHEMBL31547342 0.87 LMNA (0.82) LMNAMEN1KMT2ANR1I2CYP1A2
Fenbendazole SCHEMBL166352 0.87 LMNA (0.82) LMNAMEN1KMT2ANR1I2CYP1A2
Fenbendazole SCHEMBL31547327 0.87 LMNA (0.82) LMNAMEN1KMT2ANR1I2CYP1A2
Fenbendazole SCHEMBL28228589 0.86 LMNA (0.80) LMNAMEN1KMT2ANR1I2CYP1A2
Fenbendazole SCHEMBL9639071 0.86 LMNA (0.80) LMNAMEN1KMT2ANR1I2CYP1A2
SCHEMBL25367915 0.86 LMNA (0.47) LMNAMEN1KMT2ANR1I2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084516-B1 ANTHELMINTICS CIBA-GEIGY AG (CH) 1985-12-04 EP claimed
EP-0060810-B1 ANTHELMINTICS CIBA-GEIGY AG (CH) 1984-10-17 EP claimed
EP-0896517-B1 METHOD FOR PROMOTING HAIR, NAIL, AND SKIN KERATINIZATION SCHICK MARY P (US) 2005-05-25 EP disclosed
EP-0896517-A4 METHOD FOR PROMOTING HAIR, NAIL, AND SKIN KERATINIZATION SCHICK MARY P (US) 2000-02-09 EP disclosed
EP-0896517-A1 METHOD FOR PROMOTING HAIR, NAIL, AND SKIN KERATINIZATION Schick, Mary P. (US) 1999-02-17 EP disclosed
WO-1997035540-A1 METHOD FOR PROMOTING HAIR, NAIL, AND SKIN KERATINIZATION SCHICK MARY P (US) 1997-10-02 WO disclosed
EP-0107963-B1 INDOLE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP disclosed
EP-0107963-A1 Indole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-09 EP disclosed
EP-0090368-A1 Anthelmintic preparations HOECHST UK LIMITED (GB) 1983-10-05 EP disclosed
US-4076827-A Method of treating helminthiasis by parenteral administration of sulfoxide derivatives of benzimidazoles E. R. SQUIBB & SONS, INC. (US) 1978-02-28 US disclosed