SCHEMBL2732090

SCHEMBL2732090

CCC(N(C(=O)NNS(=O)(=O)c1ccc(-c2csnn2)cc1)C(CC)C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 3/20 0.44
PTPN1 P18031 11/20 0.42
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.37
MGLL Q99685 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
SCHEMBL2732838 0.82 MMP1 (0.46) GAA
SCHEMBL2732432 0.79 KAT6A (0.46) ALDH1A1GAAKMT2APOLB
SCHEMBL2733097 0.78 KAT6A (0.51) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL2733494 0.78 GAA (0.46) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL2732088 0.77 PKM (0.44) PKMMAPTALDH1A1GAAPTPN1
SCHEMBL420216 0.76 MAPT (0.45) PKMMAPTALDH1A1GAAPTPN1
SCHEMBL2733302 0.75 DAGLA (0.40) PKMMAPTALDH1A1GAALMNA
SCHEMBL10122126 0.74 PKM (0.47) PKMMAPTALDH1A1GAAPTPN1
SCHEMBL2732636 0.73 KAT6A (0.37) ALDH1A1GAAKMT2ALMNARAB9A
SCHEMBL19938081 0.68 MAPT (0.55) PKMMAPTALDH1A1GAAKMT2A

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
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed