SCHEMBL9830244

SCHEMBL9830244

COc1cccc(-c2nc(N)cs2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
CYP19A1 P11511 1/20 0.55
SREBF2 Q12772 1/20 0.52
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
PIM1 P11309 1/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL9831109 0.83 CYP1A1 (0.67) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL1180783 0.83 CYP19A1 (0.76) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL1179709 0.81 ALDH1A1 (0.63) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL9830040 0.80 CDC25A (0.61) ALDH1A1MAPTTDP1KDM4ECYP19A1
SCHEMBL23367891 0.79 ALDH1A1 (0.60) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL19002554 0.79 MAPT (0.75) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL1181045 0.79 CYP19A1 (0.67) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL3508223 0.79 ALDH1A1 (0.60) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL9832131 0.79 MEN1 (0.54) ALDH1A1MAPTSREBF2RAB9AATP4A
SCHEMBL29462058 0.78 MAPT (0.73) ALDH1A1MAPTTDP1KDM4ELMNA

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