SCHEMBL7479331

SCHEMBL7479331

O=C1N=NC2=C1CCCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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
Hydrochloric Acid SCHEMBL31058600 0.95 ALDH1A1 (0.33) TRIM24TRIM33ALDH1A1
SCHEMBL30995058 0.86 TRIM24 (0.43) TRIM24TRIM33ALDH1A1
SCHEMBL4309011 0.65 TRIM24 (0.39) TRIM24TRIM33ALDH1A1
SCHEMBL14485011 0.60
SCHEMBL4913305 0.60
SCHEMBL10638515 0.60 TRIM24 (0.47) TRIM24TRIM33ALDH1A1
SCHEMBL10363679 0.59 CRBN (0.33) TRIM24TRIM33ALDH1A1
SCHEMBL18642871 0.57 TRIM24 (0.50) TRIM24TRIM33ALDH1A1
SCHEMBL10260449 0.55 TRIM24 (0.41) TRIM24TRIM33ALDH1A1
SCHEMBL18642898 0.55 TRIM24 (0.47) TRIM24TRIM33ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed