SCHEMBL4552265

SCHEMBL4552265

CCOC(=O)CCn1c(=O)sc2ccc(Cl)cc21.O=c1[nH]c2cc(Cl)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.49
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 1/20 0.41
P2RX3 P56373 3/20 0.41
KAT2B Q92831 1/20 0.39
CXCR3 P49682 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3221281 0.90 TMEM97 (0.53) TMEM97SIGMAR1P2RX3KAT2BCXCR3
SCHEMBL11737352 0.79 TDP1 (0.50) TMEM97SIGMAR1LMNAL3MBTL1TSHR
SCHEMBL14262278 0.78 CXCR3 (0.45) TMEM97P2RX3KAT2BCXCR3LMNA
SCHEMBL3229333 0.77 L3MBTL1 (0.44) KAT2BLMNAL3MBTL1TSHRALDH1A1
SCHEMBL3859325 0.76 CMA1 (0.59) CMA1TMEM97SIGMAR1ALDH1A1CYP1A2
SCHEMBL18263581 0.73 KAT2B (0.46) SIGMAR1P2RX3KAT2BCXCR3L3MBTL1
SCHEMBL3225943 0.73 HTT (0.65) TMEM97SIGMAR1L3MBTL1CYP3A4
SCHEMBL18263490 0.72 KMO (0.48) KAT2BL3MBTL1
SCHEMBL30537992 0.70 CMA1 (1.00) CMA1LMNAL3MBTL1TSHRALDH1A1
SCHEMBL507970 0.70 CMA1 (1.00) CMA1LMNAL3MBTL1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed