SCHEMBL2826323

SCHEMBL2826323

CCOC(=O)c1cc(Br)cc(OCCCCCN(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
THRB P10828 5/20 0.46
THRA P10827 4/20 0.46
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.43
PLA2G2A P14555 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LSS P48449 1/20 0.42

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 0.91 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL2828409 0.87 PLA2G2A (0.47) TDP1ESR1PLA2G2A
SCHEMBL8442192 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTKDM4ETHRB
SCHEMBL2825313 0.81 LMNA (0.44) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL2826636 0.81 CA12 (0.47) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL22868140 0.81 L3MBTL1 (0.48) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL288382 0.80 BRD4 (0.53) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL2822392 0.80 CA12 (0.46) KMT2AMAPTMEN1CYP1A2TDP1
SCHEMBL2828373 0.79 THRB (0.42) ALDH1A1KMT2AMAPTKDM4ETHRB
SCHEMBL30938045 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTKDM4EMEN1

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
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