SCHEMBL6923641

SCHEMBL6923641

Cc1cc(F)cn2c(=O)[nH]c(=O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.37
TYMP P19971 4/20 0.35
DAO P14920 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
SSTR4 P31391 3/20 0.34
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
TNKS O95271 1/20 0.31
CA1 P00915 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL6918951 0.70 TNKS2 (0.39) TNKS2TYMPDAONPC1ALDH1A1
SCHEMBL31392534 0.69 DAO (0.33) TYMPDAOALDH1A1CA1ATM
SCHEMBL6920824 0.69 DAO (0.38) TNKS2TYMPDAONPC1ALDH1A1
SCHEMBL17471495 0.61 LMNA (0.43) TNKS2TYMPNPC1ALDH1A1MAPT
SCHEMBL8890059 0.60 ALDH1A1 (0.49) TNKS2TYMPALDH1A1MAPTHCAR1
SCHEMBL1155407 0.59 BRD4 (0.50)
SCHEMBL2898166 0.58 BRD4 (0.42)
SCHEMBL6027678 0.58 TYMP (0.46) TYMPALDH1A1CA1ATM
SCHEMBL16631921 0.58 KDM4E (0.36) TNKS2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17260867 0.57 LMNA (0.35) ALDH1A1MAPTGRIN1GRIN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395585-A1 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-10 EP claimed
WO-2002096908-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-05 WO claimed