SCHEMBL10475475

SCHEMBL10475475

CNCC=Cc1ccccc1Oc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 5/20 0.43
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CXCL8 P10145 1/20 0.38
NFE2L2 Q16236 4/20 0.38
HPGD P15428 1/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RHEB Q15382 1/20 0.35
HTR2A P28223 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL10362234 0.82 HTR2A (0.58) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL10362247 0.77 GAA (0.46) SLC6A4MAPTKCNH2ALDH1A1HTR2A
SCHEMBL10474818 0.75 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3MAPTHPGD
SCHEMBL10362332 0.75 MAPT (0.36) SLC6A2SLC6A4SLC6A3MAPTNFE2L2
SCHEMBL12377073 0.75 AR (0.42) SLC6A4MAPTNFE2L2HPGDKDM4E
SCHEMBL8986207 0.74 KDM4E (0.50) SLC6A4MAPTNFE2L2HPGDKDM4E
SCHEMBL10363891 0.73 CACNA1B (0.45) SLC6A2SLC6A4SLC6A3NFE2L2HPGD
SCHEMBL10781099 0.71 NFE2L2 (0.41) NFE2L2KDM4EALDH1A1TSHR
SCHEMBL5323516 0.70 LMNA (0.60) SLC6A2SLC6A4SLC6A3PLA2G1BMAPT
SCHEMBL1436765 0.70 HPGD (0.59) SLC6A2SLC6A4SLC6A3CXCL8HPGD

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-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO disclosed