SCHEMBL9841218

SCHEMBL9841218

O=C1NC(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
METAP1 P53582 1/20 0.42
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MMP13 P45452 2/20 0.37
DAO P14920 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL5447642 0.77 MMP2 (0.44) MMP2MMP9TDP1MMP13MMP14
SCHEMBL713351 0.76 MMP9 (0.61) MMP2MMP9AKR1B1MMP13LMNA
SCHEMBL1861823 0.74 MMP9 (0.59) MMP2MMP9AKR1B1MMP13LMNA
SCHEMBL3207324 0.74 MMP9 (0.59) MMP2MMP9AKR1B1MMP13LMNA
SCHEMBL3660535 0.74 CYP2C9 (0.64) NPSR1AKR1A1AKR1B1TDP1KCNH2
SCHEMBL2615291 0.74 MMP2 (0.65) NPSR1METAP1MMP2MMP9TDP1
SCHEMBL542586 0.71 LMNA (0.51) MMP2MMP9AKR1A1AKR1B1MMP14
SCHEMBL17570773 0.71 LMNA (0.51) MMP2MMP9AKR1A1AKR1B1MMP14
SCHEMBL10929665 0.69 CYP2C9 (0.79) MMP2MMP9AKR1A1AKR1B1ADAM17
SCHEMBL20291007 0.67 AKR1B1 (0.73) MMP2MMP9AKR1A1AKR1B1ADAM17

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137343-B1 NOVEL OXOPYRIMIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Taro Pharmaceutical Industries Ltd. (IL) 1991-12-04 EP disclosed
US-4628056-A Novel oxopyrimidine derivatives, pharmaceutical compositions containing them and their use as anticonvulsant, antianxiety and muscle relaxant agents TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 1986-12-09 US disclosed
EP-0137343-A2 Novel oxopyrimidine derivatives and pharmaceutical compositions containing them Taro Pharmaceutical Industries Ltd. (IL) 1985-04-17 EP disclosed