SCHEMBL9866221

SCHEMBL9866221

Cc1sc2c(c1C)C(=NO)CC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9866219 1.00 KDM4E (0.33) KDM4ENPC1TP53PKMRAB9A
SCHEMBL1869054 0.61 MAOA (0.37)
SCHEMBL9865567 0.58 DRD2 (0.33)
SCHEMBL9579238 0.55 MAOA (0.38) KDM4ENPC1TP53PKMRAB9A
SCHEMBL11783227 0.53 ALDH1A1 (0.38) KDM4ESMN1; SMN2
SCHEMBL2096219 0.52 CYP1A2 (0.38) KDM4ETP53
SCHEMBL10142904 0.52 ALDH1A1 (0.38) KDM4ETP53SMN1; SMN2
SCHEMBL13609696 0.51 KMT2A (0.54)
SCHEMBL467998 0.51 KMT2A (0.54)
SCHEMBL9153017 0.51

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-4992090-A Herbicidally active 5,6-dihydrocyclopentathiophenyl-imidazole derivatives CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0347378-A1 Imidazole derivatives CIBA-GEIGY AG (CH) 1989-12-20 EP disclosed