SCHEMBL7563010

SCHEMBL7563010

CC1CC(C(=O)N2CCCC2)=NO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 10/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7563005 0.79 KMT2A (0.37) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL3956729 0.77 KMT2A (0.41) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL3956416 0.76 KMT2A (0.37) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL9849410 0.74 KMT2A (0.33) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL13045925 0.74 — —
Hydrochloric Acid SCHEMBL9548304 0.73 KMT2A (0.33) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL19310973 0.72 — —
SCHEMBL19872861 0.69 MLYCD (0.38) —
SCHEMBL13045923 0.69 MLYCD (0.31) —
SCHEMBL13890735 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 — — EP claimed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 — — US claimed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 — — EP disclosed
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