SCHEMBL16619628

SCHEMBL16619628

CCOC(=O)CCc1ccc(N)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.41
TNF P01375 4/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SHMT2 P34897 1/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39

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
SCHEMBL3631411 0.85 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL18982801 0.85 TKT (0.39) ALDH1A1GAACYP1A2LMNASMN1; SMN2
SCHEMBL2130827 0.85 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL14542484 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL22124308 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL432804 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL3502904 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL12426803 0.81 GAA (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL4363215 0.81 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAACYP1A2
Hydrochloric Acid SCHEMBL6982968 0.81 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAACYP1A2

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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed