SCHEMBL11080561

SCHEMBL11080561

CCCCOc1ccc(C(CCC(N)=O)C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
MMP13 P45452 1/20 0.64
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC2A1 P11166 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11081564 0.94 MMP9 (0.56) MMP9MMP8MMP13LMNAGAA
SCHEMBL11084678 0.88 PARP10 (0.50) MMP9MMP8MMP13LMNAGAA
SCHEMBL11080163 0.82 ALOX5 (0.47) MMP9MMP8MMP13GAAHTT
SCHEMBL5327477 0.79 MMP9 (0.62) MMP9MMP8MMP13LMNAGAA
SCHEMBL11076971 0.79 KMT2A (0.48) MMP9MMP8MMP13LMNASMN1; SMN2
SCHEMBL11073057 0.78 ALOX5 (0.57)
SCHEMBL27495544 0.78 MMP13 (0.53) MMP9MMP8MMP13LMNATDP1
SCHEMBL11081267 0.77 CYP2C9 (0.41) MMP9MMP8MMP13LMNAMAPK1
SCHEMBL11080596 0.77 ALOX5 (0.46) LMNAGAAHTTPOLBSMN1; SMN2
SCHEMBL11080465 0.77 USP5 (0.42) GAAHTTPOLBMAPK1SMN1; SMN2

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed