SCHEMBL3129790

SCHEMBL3129790

[c]1ccccc1OCCSN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
LTA4H P09960 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3125826 0.93 KDM4E (0.35) MEN1KMT2ADRD1DRD4DRD5
SCHEMBL3246677 0.88 ALDH1A1 (0.33) KMT2ADRD1DRD4DRD5KDM4E
SCHEMBL3240661 0.81 ALDH1A1 (0.35) DRD1DRD4DRD5KDM4ENPC1
SCHEMBL826085 0.78 NPC1 (0.54) MEN1KMT2ADRD1DRD4DRD5
SCHEMBL3121502 0.78 NPC1 (0.42) MEN1KMT2AHTTKDM4ENPC1
SCHEMBL2183432 0.77 KDM4E (0.56) KDM4EALDH1A1USP2SMN1; SMN2POLB
SCHEMBL11088044 0.75 MEN1 (0.41) MEN1KMT2AHTTKDM4ENPC1
SCHEMBL3119172 0.75 NPC1 (0.41) MEN1KMT2AHTTKDM4ENPC1
SCHEMBL3119026 0.73 GAA (0.55) KDM4ENPC1RAB9AALDH1A1USP2
SCHEMBL3130513 0.72 USP2 (0.56) KDM4ENPC1RAB9AUSP2SMN1; SMN2

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