SCHEMBL16619018

SCHEMBL16619018

C[C@@H](NC(=O)CCc1cc2c(N[C@H](C)c3ccccc3)c([N+](=O)[O-])cnc2cc1Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
PARP1 P09874 2/20 0.40
PARP3 Q9Y6F1 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP2 Q13822 2/20 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
SCHEMBL16619352 0.92 SIRT5 (0.39) MAPTALDH1A1CYP2C9CYP2C19TP53
SCHEMBL16619354 0.92 SIRT5 (0.39) MAPTALDH1A1CYP2C9CYP2C19TP53
SCHEMBL16619383 0.88 PARP1 (0.43) MAPTALDH1A1SMN1; SMN2KMT2APARP1
SCHEMBL16618796 0.87 ALDH1A1 (0.40) MAPTALDH1A1CYP2C9CYP2C19TP53
SCHEMBL16618793 0.87 ALDH1A1 (0.40) MAPTALDH1A1CYP2C9CYP2C19TP53
SCHEMBL16619317 0.83 EGFR (0.38) ALDH1A1TP53
SCHEMBL16619320 0.83 EGFR (0.38) ALDH1A1TP53
SCHEMBL16619416 0.82 KDM4E (0.46) MAPTALDH1A1TP53
SCHEMBL16619418 0.82 KDM4E (0.46) MAPTALDH1A1TP53
SCHEMBL16619217 0.80 ALDH1A1 (0.49) MAPTALDH1A1TP53

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