SCHEMBL9729910

SCHEMBL9729910

NC(=O)N(O)CC1CCSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 1/20 0.40
ALOX5 P09917 4/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL660720 0.80 KDM4C (0.47) KDM4CNPC1ALDH1A1GAAMEN1
SCHEMBL8368454 0.75 KDM4C (0.51) KDM4CNPC1MEN1KMT2A
SCHEMBL15818455 0.74 KDM4C (0.43) KDM4CNPC1MEN1KMT2A
SCHEMBL7959456 0.72 ALOX5 (0.44) ALOX5
SCHEMBL5387895 0.71 ALDH1A1 (0.50) NPC1ALDH1A1GAAMEN1KMT2A
SCHEMBL5172771 0.71 KDM4C (0.44) KDM4CNPC1MEN1KMT2A
SCHEMBL5395538 0.71 ALDH1A1 (0.50) NPC1ALDH1A1GAAMEN1KMT2A
SCHEMBL21655317 0.71 KDM4C (0.43) KDM4CNPC1MEN1KMT2A
SCHEMBL5175333 0.70 KDM4C (0.43) KDM4CNPC1MEN1KMT2A
Formamide SCHEMBL9729914 0.69 KDM4C (0.49) KDM4CNPC1MEN1KMT2A

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed