SCHEMBL6839478

SCHEMBL6839478

S=C(SC(Cc1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.42
EPHX1 P07099 2/20 0.40
ACP3 P15309 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
TRPA1 O75762 1/20 0.35
CTRB1 P17538 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA3 Q9Y6Q9 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
SCHEMBL14085169 0.80 LMNA (0.44) TRPA1HTTALDH1A1SMN1; SMN2
SCHEMBL2770805 0.76 TRPA1 (0.44) MDM2SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL28127183 0.75 EPHX1 (0.46) MDM2EPHX1ACP3SLC6A2SLC6A4
SCHEMBL8094192 0.74 SLC6A2 (0.47) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL9194927 0.74 SLC6A2 (0.47) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL16128977 0.72 CYP2D6 (0.42) SLC6A4SLC6A3CYP1A2ALDH1A1L3MBTL1
SCHEMBL12243540 0.72 TAAR1 (0.37) EPHX1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL19294329 0.71 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28372918 0.71 SLC6A2 (0.44) EPHX1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL13305842 0.70 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3

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
US-20040236020-A1 Block copolymer KANEKA CORPORATION (JP) 2004-11-25 US disclosed