SCHEMBL3129786

SCHEMBL3129786

CC(Oc1[c]cccc1)SN1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 2/20 0.31
KCNA5 P22460 1/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL3125821 0.84 MEN1 (0.32) ALDH1A1NPC1TP53PKM
SCHEMBL826084 0.80 KCNA5 (0.39) TDP2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL3121500 0.78 ALDH1A1 (0.42) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL3119020 0.73 ALDH1A1 (0.60) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL3124832 0.72 GRM5 (0.35) ALDH1A1HPGDHSD17B10SMN1; SMN2KCNA5
SCHEMBL1283403 0.70 KCNA5 (0.35) ALDH1A1KCNA5LMNAKDM4E
SCHEMBL3129790 0.69 MEN1 (0.35) ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL4719479 0.69 TP53 (0.38) ALDH1A1HSD17B10SMN1; SMN2NPC1TP53
SCHEMBL3125826 0.69 KDM4E (0.35) ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL3130676 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed