SCHEMBL6201851

SCHEMBL6201851

O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2n[nH]cc2-c2nc3ncccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 6/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 4/20 0.49
ADRB2 P07550 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 2/20 0.48
FAAH O00519 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
PTK2B Q14289 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
SCHEMBL6204331 0.82 RAB9A (0.59) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6085326 0.82 CETP (0.56) MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL6205323 0.81 RAB9A (0.53) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6198138 0.80 MAPT (0.56) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6203401 0.79 MAPT (0.54) MAPTRXFP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6201345 0.77 RAB9A (0.60) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6204336 0.75 RAB9A (0.55) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6086921 0.72 MAPT (0.53) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6086143 0.71 HSD17B10 (0.53) RAB9ANPC1MAPTRXFP1SMN1; SMN2
SCHEMBL6202061 0.71 FAAH (0.58) MAPTSMN1; SMN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed