SCHEMBL10945624

SCHEMBL10945624

CN(C)c1cccc(C(O)=S)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
HPGD P15428 4/20 0.42
MEN1 O00255 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL609166 0.84 KMT2A (0.51) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL12808789 0.82 ALDH1A1 (0.57) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL11897877 0.81 ALDH1A1 (0.38) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL29625195 0.79 KMT2A (0.58) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL222176 0.79 KMT2A (0.58) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL12154048 0.79 LMNA (0.60) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL27761399 0.78 KMT2A (0.57) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL7056764 0.77 HPGD (0.59) POLBLMNAALDH1A1TSHRKMT2A
SCHEMBL2334225 0.77 L3MBTL1 (0.48) LMNAALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL7085061 0.76 KMT2A (0.55) POLBLMNAALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4524028-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1985-06-18 US disclosed
US-4518533-A Azetidinone-4-disulfides as intermediates for thia-aza compounds with a beta-lactam ring CIBA GEIGY CORPORATION (US) 1985-05-21 US disclosed
US-4515717-A INTERMEDIATES FOR 6-UNSUBSTITUTED PENICILLIN ANTIOBIOTICS CIBA GEIGY CORPORATION (US) 1985-05-07 US disclosed
US-4500457-A TREATING AN ACYLOXYAZETIDINONE WITH MERCAPTO COMPOUND, GLYOYLIC ESTER, HALOGENATION AGENT, AND PHOSPHINE COMPOUNT THEN CYCLIZATION CIBA-GEIGY CORPORATION (US) 1985-02-19 US disclosed
US-4447360-A Intermediates for thia-aza compounds with a β-lactam ring CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4331676-A 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed