SCHEMBL10555166

SCHEMBL10555166

Fc1cccc(F)c1NC(=S)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HPGD P15428 3/20 0.60
ATG4B Q9Y4P1 3/20 0.60
KDM4E B2RXH2 3/20 0.60
KMT2A Q03164 3/20 0.60
TP53 P04637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
PKM P14618 2/20 0.60
GAA P10253 1/20 0.60
CCR6 P51684 1/20 0.60
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50

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
SCHEMBL10552464 0.87 MAPT (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10415044 0.83 SMN1; SMN2 (0.60) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30763145 0.83 SMN1; SMN2 (0.60) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10556884 0.83 MAPT (0.55) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17136102 0.81 HDAC6 (0.57) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL20302167 0.81 P2RX7 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10414905 0.77 KMT2A (0.75) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10558445 0.76 MAPT (0.64) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10416326 0.76 MAPT (0.69) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10416381 0.75 MAPT (0.68) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886821-A 2-pyridinecarbothioamides and pharmaceutical compositions comprising the same useful as anti ulcer agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-12-12 US claimed
US-4886821-A 2-pyridinecarbothioamides and pharmaceutical compositions comprising the same useful as anti ulcer agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-12-12 US disclosed