SCHEMBL7005666

SCHEMBL7005666

CCc1ccc2cc3c(=O)[nH]ccn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
BRD4 O60885 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TYMS P04818 1/20 0.36
PARP1 P09874 1/20 0.34
ELANE P08246 1/20 0.34
HTR7 P34969 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL7001371 0.81 BRD4 (0.45) DAOBRD4CYP1A2CYP2A6PARP1
SCHEMBL7005550 0.78 CHEK1 (0.45) DAOBRD4CYP1A2ALDH1A1
SCHEMBL7006748 0.78 BRD4 (0.45) BRD4CYP2A6TYMS
SCHEMBL7006777 0.77 HTR7 (0.39) DAOBRD4CYP1A2CYP2A6TYMS
SCHEMBL7010349 0.76 BRD4 (0.43) DAOBRD4AKR1C3AKR1C2
SCHEMBL4751214 0.75 PARP1 (0.41) DAOBRD4PARP1ALDH1A1LMNA
SCHEMBL7007056 0.74 CES1 (0.38) DAOL3MBTL1PLA2G10PLA2G2A
SCHEMBL7006207 0.73 GRIA1 (0.41) DAOCYP1A2PARP1LMNAMAPT
SCHEMBL7003213 0.73 NSD2 (0.50) NPC1RAB9AL3MBTL1
SCHEMBL13266976 0.70 TYMS (0.49) DAOCYP1A2CYP2A6TYMSPARP1

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed