SCHEMBL9305711

SCHEMBL9305711

CCCCNC(=O)c1ccc2oc(S)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
BLM P54132 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 4/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
GAA P10253 1/20 0.44

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
SCHEMBL2244935 0.80 TP53 (0.58) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL701861 0.79 TAS1R3 (0.65) TAS1R3TAS1R1
SCHEMBL24162929 0.78 TP53 (0.66) HPGDALDH1A1MAPTRAB9ALMNA
SCHEMBL13080228 0.75 RAB9A (0.42) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL9734495 0.75 SMN1; SMN2 (0.52) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL1101422 0.74 MAPT (0.53) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL29364250 0.74 MAPT (0.53) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8597623 0.74 SMN1; SMN2 (0.57) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8653471 0.73 NPC1 (0.46) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL28326194 0.72 L3MBTL1 (0.73) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed