SCHEMBL3125826

SCHEMBL3125826

[c]1ccccc1OCCCSN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
USP2 O75604 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL3129790 0.93 MEN1 (0.35) KDM4EMEN1KMT2ACYP2D6TSHR
SCHEMBL3240661 0.89 ALDH1A1 (0.35) KDM4ECYP2D6DRD1DRD4DRD5
SCHEMBL3246677 0.81 ALDH1A1 (0.33) KDM4EKMT2ACYP2D6DRD1DRD4
SCHEMBL2183432 0.79 KDM4E (0.56) KDM4ECYP2D6TSHRPOLBUSP2
SCHEMBL3119172 0.79 NPC1 (0.41) KDM4EMEN1KMT2APOLBUSP2
SCHEMBL826085 0.77 NPC1 (0.54) KDM4EMEN1KMT2APOLBDRD1
SCHEMBL3121502 0.74 NPC1 (0.42) KDM4EMEN1KMT2APOLBUSP2
SCHEMBL11088044 0.74 MEN1 (0.41) KDM4EMEN1KMT2ACYP2D6TSHR
SCHEMBL3130513 0.74 USP2 (0.56) KDM4EPOLBUSP2SMN1; SMN2NPC1
SCHEMBL3119026 0.72 GAA (0.55) KDM4EPOLBUSP2ALDH1A1SMN1; 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