SCHEMBL27470577

SCHEMBL27470577

CC(C)CCc1c(-c2ccc(C[SH](=O)=O)cc2)cnn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
GCGR P47871 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMO Q99835 4/20 0.35
NPBWR1 P48145 2/20 0.35
MCHR1 Q99705 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NR3C1 P04150 2/20 0.34
XBP1 P17861 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL27555435 0.94 RAB9A (0.41) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL27488605 0.86 NPBWR1 (0.36) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL27471084 0.86 SMN1; SMN2 (0.39) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL27488957 0.85 SMN1; SMN2 (0.40) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL4188310 0.83 PTGS2 (0.50) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL27486810 0.83 RAB9A (0.42) RAB9ANPC1LMNASMN1; SMN2KMT2A
SCHEMBL4180316 0.82 CA1 (0.46) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL27487895 0.81 MEN1 (0.42) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL27471546 0.81 SMN1; SMN2 (0.45) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL27487167 0.80 NPBWR1 (0.40) RAB9AALDH1A1NPC1LMNAHPGD

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
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN disclosed