SCHEMBL9831121

SCHEMBL9831121

O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)c1nnn[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.58
MPL P40238 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
USP2 O75604 3/20 0.49
USP8 P40818 3/20 0.49
SIRT5 Q9NXA8 1/20 0.48
PARP1 P09874 1/20 0.47
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM1A O60341 1/20 0.45
MRE11 P49959 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9829907 0.85 LMNA (0.59) GSTO1MPLCSNK2A2CSNK2BCSNK2A1
SCHEMBL9831892 0.85 ABL1 (0.60) GSTO1MPLMAPTMAPK1NPC1
SCHEMBL9832583 0.85 LMNA (0.57) GSTO1PARP1KDM4EMAPTMAPK1
SCHEMBL9829808 0.85 RAB9A (0.58) GSTO1PARP1MAPTMAPK1NPC1
SCHEMBL9829242 0.82 ADORA3 (0.60) GSTO1KDM4EMAPTMAPK1NPC1
SCHEMBL9831484 0.81 MEN1 (0.64) SIRT5MAPTNPC1RAB9ALMNA
SCHEMBL9829872 0.80 RAB9A (0.62) GSTO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9829548 0.80 MEN1 (0.59) MPLKDM4EMAPTNPC1RAB9A
SCHEMBL9831311 0.79 LMNA (0.60) PARP1KDM4EMAPTMAPK1NPC1
SCHEMBL9831525 0.78 NPC1 (0.60) USP2KDM4EMAPTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed