SCHEMBL5645795

SCHEMBL5645795

O=C(NCc1ccc(F)cc1F)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.55
KCNK3 O14649 1/20 0.52
KCNK5 O95279 1/20 0.52
KCNK17 Q96T54 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
AKR1B1 P15121 1/20 0.51
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK8 P45983 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GSK3B P49841 1/20 0.48
CYP1A2 P05177 1/20 0.48
HSD17B13 Q7Z5P4 1/20 0.47
ALDH2 P05091 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MT-CO2 P00403 1/20 0.46

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
SCHEMBL6357659 0.90 TP53 (0.56) HPGDALDH1A1MAPK8L3MBTL1TDP1
SCHEMBL6362508 0.89 HPGD (0.50) HPGDALDH1A1MAPK8L3MBTL1TDP1
SCHEMBL6356836 0.84 KDM4E (0.52) HPGDALDH1A1L3MBTL1TP53
SCHEMBL15686616 0.83 HPGD (0.64) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL5645147 0.83 AKR1B1 (0.57) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL5644455 0.83 HPGD (0.52) HPGDALDH1A1CYP1A2KMT2ANPC1
SCHEMBL3460904 0.80 EPHX2 (0.57) KCNA5AKR1B1HPGDALDH1A1MEN1
SCHEMBL15686619 0.80 KMT2A (0.70) HPGDALDH1A1L3MBTL1CYP1A2KMT2A
SCHEMBL6361750 0.80 P2RX7 (0.52) HPGDALDH1A1MAPK8L3MBTL1TDP1
SCHEMBL23675392 0.78 TAS1R3 (0.62) KCNA5AKR1B1GSK3BMEN1KMT2A

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed