SCHEMBL7775951

SCHEMBL7775951

CSc1cc(=O)c2ccc(C(=O)O)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.41
PKM P14618 1/20 0.40
LIG1 P18858 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TBXAS1 P24557 3/20 0.38
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
AR P10275 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL7774088 0.80 ALDH1A1 (0.39) PKMLIG1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7774397 0.76 HSD17B10 (0.36) STSPKMLIG1SMN1; SMN2LMNA
SCHEMBL204515 0.74 KDM4E (0.48) NPC1RAB9ASMN1; SMN2TBXAS1KDM4E
SCHEMBL30414903 0.74 KDM4E (0.48) NPC1RAB9ASMN1; SMN2TBXAS1KDM4E
SCHEMBL7769690 0.74 TSHR (0.48) NPC1RAB9ASMN1; SMN2KDM4ETDP1
SCHEMBL28456554 0.73 TTR (0.49) NPC1RAB9ASMN1; SMN2TBXAS1KDM4E
SCHEMBL30414825 0.71 KDM4E (0.46) NPC1RAB9ASMN1; SMN2TBXAS1KDM4E
SCHEMBL2486863 0.71 KDM4E (0.46) NPC1RAB9ASMN1; SMN2TBXAS1KDM4E
SCHEMBL28456827 0.68 STS (0.45) STSNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL11249253 0.67 CYP1A2 (0.54) NPC1RAB9ASMN1; SMN2KDM4ETDP1

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