SCHEMBL28835689

SCHEMBL28835689

c1ccc(SC2CCCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
POLB P06746 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM1 P11229 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL19066597 0.74 LTA4H (0.36) CYP2D6HPGDDDB1CRBN
SCHEMBL10794455 0.69 MAOB (0.43) CYP1A2CYP2D6DDB1CRBN
SCHEMBL4866506 0.69 MAOB (0.43) DDB1CRBN
SCHEMBL15758454 0.68 CRBN (0.44) CYP1A2CYP2D6CYP2C19DDB1CRBN
Hydrochloric Acid SCHEMBL15650239 0.68 MAOB (0.42) DDB1CRBN
Hydrochloric Acid SCHEMBL10798935 0.68 MAOB (0.42) CYP1A2CYP2D6DDB1CRBN
SCHEMBL4696488 0.67 MAOA (0.48) HPGDMAPK1DDB1CRBNF2
SCHEMBL576029 0.67 MAOA (0.53) NPC1HPGDRAB9ADDB1CRBN
SCHEMBL10305657 0.67 DDB1 (0.40) HPGDMAPK1DDB1CRBNF2
Hydrochloric Acid SCHEMBL4742878 0.67 POLB (0.49) CRBNPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106070307-A A kind of mildew preventive composition for leather containing polyethers 王金明 2016-11-09 CN disclosed