SCHEMBL3125821

SCHEMBL3125821

CCC(Oc1[c]cccc1)SN1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 2/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2A13 Q16696 1/20 0.30
TP53 P04637 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
SCHEMBL3129786 0.84 TDP2 (0.33) NPC1PKMALDH1A1TP53
SCHEMBL3119167 0.81 NPSR1 (0.41) MEN1KMT2ANPSR1NPC1ALDH1A1
SCHEMBL3124832 0.78 GRM5 (0.35) MEN1KMT2AALDH1A1
SCHEMBL826084 0.75 KCNA5 (0.39) MEN1KMT2AALDH1A1TP53
SCHEMBL3130509 0.73 ALDH1A1 (0.44) MEN1KMT2ANPSR1NPC1ALDH1A1
SCHEMBL3126463 0.72
SCHEMBL3124922 0.71
SCHEMBL3129790 0.70 MEN1 (0.35) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3125826 0.69 KDM4E (0.35) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL3119020 0.68 ALDH1A1 (0.60) KMT2AALDH1A1HTTTP53

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