SCHEMBL9831974

SCHEMBL9831974

Cc1nc(-c2ccccc2[N+](=O)[O-])sc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 4/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9829749 0.82 DDX3X (0.44) DDX3XSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL9830803 0.81 ALDH1A1 (0.62) SMN1; SMN2HPGDRAB9ANPC1GAA
SCHEMBL9823409 0.81 DDX3X (0.43) DDX3XSMN1; SMN2RAB9ANPC1GAA
SCHEMBL9830987 0.76 GAA (0.54) SMN1; SMN2HPGDRAB9ANPC1GAA
SCHEMBL10877847 0.75 TDP1 (0.51) SMN1; SMN2RAB9AALDH1A1KDM4EMEN1
SCHEMBL9832642 0.75 SMN1; SMN2 (0.64) SMN1; SMN2HPGDRAB9ANPC1GAA
SCHEMBL10647360 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HPGDRAB9ANPC1GAA
SCHEMBL9831938 0.74 PPARA (0.49) SMN1; SMN2HPGDRAB9ANPC1GAA
SCHEMBL9832312 0.73 ROCK1 (0.51) SMN1; SMN2HPGDRAB9ANPC1GAA
SCHEMBL9829467 0.72 ROCK1 (0.42) SMN1; SMN2HPGDNPC1GAAALDH1A1

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