SCHEMBL16625656

SCHEMBL16625656

CCN(CC)CCn1c2ccc3c(c2c2c4ccn(C)c(=O)c4ccc21)CCC3=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ PARP1 P09874 3/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ G6PD P11413 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MPO P05164 1/20 0.33
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ PARP3 Q9Y6F1 1/20 0.32
▸ WEE1 P30291 1/20 0.31
▸ KMT2A Q03164 3/20 0.31

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
SCHEMBL12608711 0.87 TP53 (0.43) TP53PARP1TOP2AG6PDMPO
SCHEMBL30721748 0.87 TP53 (0.43) TP53PARP1TOP2AG6PDMPO
Hydrochloric Acid SCHEMBL14472088 0.85 TP53 (0.42) TP53PARP1TOP2AG6PDMPO
SCHEMBL16627377 0.85 POLB (0.36) TP53PARP1TOP2AG6PDMPO
SCHEMBL16625686 0.84 TOP2A (0.33) PARP1TOP2AG6PDTSHRMPO
SCHEMBL16625680 0.84 CYP1A2 (0.34) PARP1TOP2AG6PDTSHRMPO
SCHEMBL16625682 0.84 TOP2A (0.37) TP53PARP1TOP2AG6PDTSHR
SCHEMBL16625690 0.84 TP53 (0.39) TP53PARP1TOP2AG6PDTSHR
SCHEMBL12608688 0.80 TP53 (0.39) TP53PARP1TOP2AG6PDMPO
SCHEMBL16454745 0.79 G6PD (0.51) TP53PARP1TOP2AG6PDMPO

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-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 — — WO disclosed
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