SCHEMBL7833262

SCHEMBL7833262

CCOC(=O)c1cccc(Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3S(N)(=O)=O)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.46
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 3/20 0.43
PTGS2 P35354 1/20 0.43
CDC25B P30305 1/20 0.42
TYK2 P29597 1/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7847205 0.93 PTGS2 (0.47) DHODHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7843978 0.91 KDM4E (0.48) DHODHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7833260 0.88 PTGS2 (0.53) DHODHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7843373 0.87 PTGDR2 (0.46) RAB9AMAPTALDH1A1MEN1HTT
SCHEMBL7842533 0.83 PTGS2 (0.49) DHODHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7847201 0.83 PTGS2 (0.64) DHODHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7845455 0.81 PTGDR2 (0.46) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL7839772 0.79 PTGDR2 (0.48) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL7843975 0.77 PTGS2 (0.56) DHODHKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL7843369 0.74 CCNA2 (0.52) SMN1; SMN2MAPTMEN1KMT2APTGS2

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed