SCHEMBL18767342

SCHEMBL18767342

CO/C=C/c1cc(Cl)ccc1-c1cccc2sc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
BRDT Q58F21 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CRHR1 P34998 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP2K1 Q02750 1/20 0.31
JAK2 O60674 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24275425 0.88 KDM4E (0.38) KDM4ENPC1MAPTRAB9ACYP1A2
SCHEMBL17754462 0.84 PARP1 (0.36) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18767343 0.81 KDM4E (0.46) KDM4EBRDTMAPTALDH1A1JAK2
SCHEMBL18767347 0.81 KDM4E (0.42) KDM4EBRDTMAPTRAB9AHPGD
SCHEMBL28536685 0.78 GPR3 (0.41) KDM4ENPC1MAPTRAB9ACYP1A2
SCHEMBL17167478 0.76 PARP14 (0.40) KDM4EBRDTMAPTALDH1A1MAPK3
SCHEMBL1933126 0.75 ALDH1A1 (0.33) KDM4EMAPTHPGDALDH1A1CRHR1
SCHEMBL12522809 0.75 ALDH1A1 (0.33) KDM4EMAPTHPGDALDH1A1CRHR1
SCHEMBL22418187 0.74 SMN1; SMN2 (0.36) KDM4ENPC1MAPTRAB9AHPGD
SCHEMBL25585754 0.74 SMN1; SMN2 (0.36) KDM4ENPC1MAPTRAB9AHPGD

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
WO-2017065419-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-20 WO disclosed