SCHEMBL7843978

SCHEMBL7843978

CCOC(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3S(N)(=O)=O)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
DHODH Q02127 12/20 0.48
PTGS2 P35354 1/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
THRB P10828 1/20 0.43
NR4A1 P22736 1/20 0.43

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
SCHEMBL7842533 0.92 PTGS2 (0.49) KDM4EALDH1A1LMNADHODHPTGS2
SCHEMBL7833262 0.91 DHODH (0.46) KDM4EALDH1A1LMNADHODHPTGS2
SCHEMBL7839772 0.87 PTGDR2 (0.48) PTGS2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7843975 0.86 PTGS2 (0.56) KDM4EALDH1A1LMNADHODHPTGS2
SCHEMBL7847205 0.83 PTGS2 (0.47) KDM4EALDH1A1LMNADHODHPTGS2
SCHEMBL7842530 0.81 PTGS2 (0.68) KDM4EALDH1A1LMNADHODHPTGS2
SCHEMBL2696746 0.80 DHODH (0.64) KDM4EALDH1A1LMNADHODHMAPT
SCHEMBL7832496 0.79 KMT2A (0.51) KDM4EALDH1A1PTGS2MAPTSMN1; SMN2
SCHEMBL7843373 0.79 PTGDR2 (0.46) ALDH1A1PTGS2MAPTRAB9APTGDR2
SCHEMBL7833260 0.78 PTGS2 (0.53) KDM4EALDH1A1LMNADHODHPTGS2

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 4 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
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed