SCHEMBL27469593

SCHEMBL27469593

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL27522830 0.91 PTGS2 (0.46) PTGS2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL27486815 0.90 PTGS2 (0.44) PTGS2SMN1; SMN2LMNAITGB1ITGA4
SCHEMBL27489270 0.89 PTGS2 (0.42) PTGS2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL27487526 0.89 CYP1A2 (0.47) PTGS2SMN1; SMN2RAB9AITGB1ITGA4
SCHEMBL27488603 0.89 PTGS2 (0.42) PTGS2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL27489264 0.89 PTGS2 (0.42) PTGS2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL27487893 0.89 CYP1A2 (0.47) PTGS2SMN1; SMN2RAB9AITGB1ITGA4
SCHEMBL27549351 0.88 RAB9A (0.44) PTGS2SMN1; SMN2RAB9ANPC1NPSR1
SCHEMBL27475808 0.87 PTGS2 (0.42) PTGS2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL27487166 0.86 PTGS2 (0.40) PTGS2ITGB1ITGA4ITGB7PTGS1

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