SCHEMBL8973238

SCHEMBL8973238

CCCCC(Cl)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ADRB2 P07550 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL11620549 0.94 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3TSHRMAPK1
SCHEMBL28824086 0.88 NPC1 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2HPGD
SCHEMBL6679840 0.87 TSHR (0.44) SLC6A2SLC6A4SLC6A3TSHRMAPK1
SCHEMBL8973155 0.83 HRH3 (0.45) SLC6A2SLC6A4SLC6A3TDP1SMN1; SMN2
SCHEMBL28429634 0.82 HTR7 (0.39) SLC6A2SLC6A4SLC6A3MAPK1SMN1; SMN2
SCHEMBL27647959 0.82 CYP1A2 (0.37) MAPK1TDP1SMN1; SMN2LMNAHPGD
SCHEMBL11623007 0.82 MMP2 (0.44) SLC6A2SLC6A4SLC6A3TSHRMAPK1
SCHEMBL28771687 0.82 BDKRB2 (0.40) TSHRMAPK1TDP1SMN1; SMN2LMNA
SCHEMBL9016030 0.82 ESR1 (0.47) SLC6A2SLC6A4SLC6A3HIF1ATDP1
SCHEMBL28017458 0.82 MAPT (0.39) SLC6A2SLC6A4SLC6A3TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023791-A2 METHOD FOR PRODUCING ORGANOALUMINIUM COMPOUNDS AND USE THEREOF LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-03-03 WO disclosed
EP-0410466-B1 Substituted phenylalkylimidazole compounds HODOGAYA CHEMICAL CO LTD (JP) 1996-04-03 EP disclosed
US-5057145-A PHENYLALKYLIMIDAZOLE COMPOUNDS AS FUNGICIDES HODOGAYA CHEMICAL CO., LTD. (JP) 1991-10-15 US disclosed
EP-0410466-A2 Substituted phenylalkylimidazole compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1991-01-30 EP disclosed