SCHEMBL17549522

SCHEMBL17549522

C[S+]([O-])c1ccccc1-c1cc2cccc(F)c2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 4/20 0.49
▸ DDO Q99489 2/20 0.49
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HRH4 Q9H3N8 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MDM2 Q00987 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ AR P10275 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL2729184 0.75 DAO (0.50) DAODDOCA12CA9HRH4
SCHEMBL29369387 0.72 DAO (0.46) DAODDOCA12CA9HRH4
SCHEMBL4196645 0.70 DAO (0.71) DAODDOCA12CA9HRH4
SCHEMBL2717082 0.70 MGAM (0.32) MGAMGAASIMGAM2
SCHEMBL17549873 0.70 ATM (0.31) MGAMGAASIMGAM2
SCHEMBL17549519 0.70 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL12970395 0.70 DAO (0.65) DAODDOCA12CA9HRH4
SCHEMBL25006241 0.68 KDM4E (0.32) —
SCHEMBL28779468 0.68 NPC1 (0.41) MGAMGAASIMGAM2
SCHEMBL22011577 0.67 ALDH1A1 (0.54) —

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-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 — — EP disclosed
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