SCHEMBL16625686

SCHEMBL16625686

CCN(CC)CCn1c2ccc3c(c2c2c4ccn(C)c(=O)c4ccc21)CN(C)C3=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MPO P05164 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PARP3 Q9Y6F1 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ POLB P06746 2/20 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
SCHEMBL16625656 0.84 TP53 (0.40) TOP2AG6PDTSHRMPOPARP1
SCHEMBL14548880 0.80 G6PD (0.50) TOP2AG6PDMPOPARP1SLC6A4
SCHEMBL16625657 0.80 TP53 (0.38) TOP2AG6PDMPOPARP1SLC6A4
SCHEMBL16625975 0.78 SIGMAR1 (0.34) TOP2AG6PDTSHRPARP1SLC6A4
SCHEMBL16625683 0.78 PARP1 (0.35) TOP2AG6PDMPOPARP1CYP1A2
SCHEMBL16625680 0.77 CYP1A2 (0.34) TOP2AG6PDTSHRMPOPARP1
SCHEMBL16454260 0.76 TP53 (0.47) G6PDWEE1KMT2AL3MBTL1MEN1
SCHEMBL16454376 0.76 TSHR (0.33) G6PDTSHRPARP1TNKS2PARP2
SCHEMBL16625979 0.75 PARP1 (0.33) G6PDPARP1CYP1A2CYP3A4CYP2D6
SCHEMBL16625976 0.74 SIGMAR1 (0.36) TOP2AG6PDTSHRMPOSLC6A4

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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