SCHEMBL7769678

SCHEMBL7769678

COc1ccc2c(=O)cc(S)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
TSHR P16473 2/20 0.50
PRNP P04156 1/20 0.50
PPARG P37231 1/20 0.50
HTT P42858 1/20 0.50
MAPK10 P53779 1/20 0.50
NCOA2 Q15596 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL2331968 0.81 ALDH1A1 (0.56) MAPK1TSHRPRNPPPARGHTT
SCHEMBL7769690 0.78 TSHR (0.48) MAPK1TSHRPRNPPPARGHTT
SCHEMBL30017661 0.77 KDM4E (0.67) MAPK1TSHRPRNPPPARGHTT
SCHEMBL13338880 0.77 KDM4E (0.67) MAPK1TSHRPRNPPPARGHTT
SCHEMBL9016595 0.76 MAOA (0.46) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL9016538 0.74 ALDH1A1 (0.44) HTTALDH1A1KDM4EMAPTLMNA
SCHEMBL29853664 0.72 HTT (0.49) MAPK1TSHRPRNPPPARGHTT
SCHEMBL26768604 0.72 HTT (0.49) MAPK1TSHRPRNPPPARGHTT
SCHEMBL10031374 0.72 HTT (0.51) MAPK1TSHRPRNPPPARGHTT
SCHEMBL8788364 0.71 ALDH1A1 (0.48) MAPK1TSHRPRNPPPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294527-B1 ANTIBIOTICS FOR METHACILLIN RESISTANT BACTERIA ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0949262-B1 CEPHEM COMPOUNDS ZENYAKU KOGYO KK (JP) 2001-08-22 EP disclosed
EP-1090920-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-04-11 EP disclosed
EP-0949262-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-10-13 EP disclosed