SCHEMBL7774232

SCHEMBL7774232

CSc1cc(=O)c2ccc(N3CCOCC3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
LGMN Q99538 1/20 0.40
PRKDC P78527 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL7774249 0.80 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL7775861 0.78 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL7774088 0.70 ALDH1A1 (0.39) MAPTSMN1; SMN2ALOX15ALDH1A1PKM
SCHEMBL31006149 0.69 KIF11 (0.42) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL15259660 0.69 KIF11 (0.42) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL31215127 0.69 LRRK2 (0.43) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL7769690 0.68 TSHR (0.48) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL7775951 0.67 STS (0.41) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7774377 0.66 HSD17B10 (0.45) MAPTSMN1; SMN2ALOX15ALDH1A1PKM
SCHEMBL6810721 0.65 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ATP53

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