SCHEMBL2825313

SCHEMBL2825313

CCOC(=O)c1cc(Br)cc(OCCN(C)CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
LSS P48449 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL2821784 0.87 ALDH1A1 (0.52) LMNACA12CA1CA2CA7
SCHEMBL2826636 0.85 CA12 (0.47) LMNACA12CA1CA2CA7
SCHEMBL2826323 0.81 ALDH1A1 (0.53) LMNALSSALDH1A1KDM4ETDP1
SCHEMBL22868140 0.80 L3MBTL1 (0.48) LMNACA12CA1CA2CA7
SCHEMBL288382 0.79 BRD4 (0.53) LMNACA12CA1CA2CA7
SCHEMBL2822392 0.79 CA12 (0.46) LMNACA12CA1CA2CA7
SCHEMBL2828409 0.78 PLA2G2A (0.47) CA12CA1CA2CA7CA9
SCHEMBL30938045 0.75 ALDH1A1 (0.53) LMNAALDH1A1KDM4EMAPTDRD2
SCHEMBL7875608 0.74 CA12 (0.47) LMNACA12CA1CA2CA7
SCHEMBL31135164 0.73 MEN1 (0.55) LMNACA12CA1CA2CA7

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
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed