SCHEMBL10898596

SCHEMBL10898596

c1coc(C2NCCS2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CHRM5 P08912 10/20 0.47
CHRM3 P20309 10/20 0.47
CHRM1 P11229 9/20 0.47
CHRM2 P08172 9/20 0.47
CHRM4 P08173 9/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
POLB P06746 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL22890955 0.71 CHRM5 (0.57) GAACHRM5CHRM3CHRM1CHRM2
SCHEMBL18966709 0.71 CHRM5 (0.57) GAACHRM5CHRM3CHRM1CHRM2
SCHEMBL18329311 0.70 GAA (0.46) GAACHRM5CHRM3CHRM1CHRM2
SCHEMBL4655299 0.68 MAPT (0.66) GAAMAPTALDH1A1TDP1KDM4E
SCHEMBL27313503 0.68 MAPT (0.55) MAPTALDH1A1TDP1POLBKMT2A
SCHEMBL27843146 0.68 GAA (1.00) GAACHRM5CHRM3CHRM1CHRM2
SCHEMBL26628111 0.67 GAA (0.43) GAACHRM5CHRM3CHRM1CHRM2
SCHEMBL28102538 0.67 GAA (0.44) GAACHRM5CHRM3CHRM1CHRM2
SCHEMBL27372120 0.66 MAPT (0.43) MAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL517623 0.64 MAPT (0.46) GAAMAPTALDH1A1TDP1POLB

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
US-4616025-A ANTIULCER AGENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-10-07 US disclosed