SCHEMBL7774249

SCHEMBL7774249

O=c1cc(S)sc2cc(N3CCOCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
PIK3CA P42336 3/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
LGMN Q99538 2/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
PSMD14 O00487 1/20 0.40
PRKDC P78527 6/20 0.40
PIK3CG P48736 1/20 0.40
ACE P12821 1/20 0.39
ECE1 P42892 1/20 0.39

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
SCHEMBL7774377 0.86 HSD17B10 (0.45) MAPTSMN1; SMN2ALOX15CYP1A2CASP3
SCHEMBL7774232 0.80 MAPT (0.43) MAPTSMN1; SMN2NPC1TP53ALOX15
SCHEMBL7775861 0.78 MAPT (0.41) MAPTSMN1; SMN2NPC1TP53ALOX15
SCHEMBL7777231 0.71 TMEM97 (0.50) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL31215127 0.69 LRRK2 (0.43) MAPTSMN1; SMN2NPC1TP53ALOX15
SCHEMBL31006149 0.69 KIF11 (0.42) MAPTSMN1; SMN2NPC1TP53ALOX15
SCHEMBL15259660 0.69 KIF11 (0.42) MAPTSMN1; SMN2NPC1TP53ALOX15
SCHEMBL10347934 0.69 NPC1 (0.70) MAPTSMN1; SMN2NPC1TP53ALOX15
SCHEMBL30662844 0.67 HSD17B10 (0.73) MAPTNPC1RAB9APIK3CAPIK3CD
SCHEMBL1938064 0.67 SLC16A3 (0.51) MAPTNPC1RAB9APIK3CAPIK3CD

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 3 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-0949262-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-10-13 EP disclosed