SCHEMBL6008267

SCHEMBL6008267

Cc1cccc2[nH]c3cccc(Br)c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
FEN1 P39748 1/20 0.43
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41

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
SCHEMBL6008314 0.87 FEN1 (0.52) ALDH1A1FEN1CCNB2CCNE2CDK1
SCHEMBL30439700 0.87 FEN1 (0.52) ALDH1A1FEN1CCNB2CCNE2CDK1
SCHEMBL30715250 0.87 GPR84 (0.48) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL6008331 0.87 GPR84 (0.48) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL12016684 0.77 MAPT (0.62) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL6008281 0.77 CHEK1 (0.46) FEN1GABRPGABRDGABRA1GABRB1
SCHEMBL29782575 0.75 AHR (0.52) ALDH1A1FEN1CCNB2CCNE2CDK1
SCHEMBL22609023 0.75 AHR (0.52) ALDH1A1FEN1CCNB2CCNE2CDK1
SCHEMBL6009679 0.75 IMPDH2 (0.57) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL6008305 0.75 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed