SCHEMBL9830487

SCHEMBL9830487

Cc1ccc(-c2nc(NC(=O)c3nnn[nH]3)cs2)cc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.45
TLR7 Q9NYK1 1/20 0.42
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39
GAA P10253 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SREBF2 Q12772 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 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
SCHEMBL9829826 0.99 RAB9A (0.49) RAB9ANPC1POLBALDH1A1TLR7
Monoethanolamine SCHEMBL9831456 0.91 RAB9A (0.43) RAB9ANPC1POLBALDH1A1TLR7
SCHEMBL9829838 0.88 RAB9A (0.49) RAB9ANPC1ALDH1A1TLR7CDK5
SCHEMBL9830880 0.86 CDK5 (0.52) RAB9ANPC1ALDH1A1TLR7CDK5
SCHEMBL9830585 0.86 RAB9A (0.40) RAB9ANPC1POLBALDH1A1TLR7
SCHEMBL9831158 0.86 CDC25A (0.49) RAB9ANPC1POLBALDH1A1TLR7
SCHEMBL9830549 0.86 TP53 (0.45) RAB9ANPC1POLBALDH1A1CDK5
SCHEMBL9832511 0.85 CDK5 (0.55) RAB9ANPC1POLBALDH1A1CDK5
SCHEMBL9831900 0.81 CYP1A1 (0.45) CDK5CDK5R1GAACCNA2CDK2
SCHEMBL9831314 0.81 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1CDK5CDK5R1

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