SCHEMBL8311334

SCHEMBL8311334

CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 1.00
KDM4E B2RXH2 6/20 0.68
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
MAPT P10636 3/20 0.59
POLB P06746 1/20 0.59
HPGD P15428 3/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 3/20 0.56
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 2/20 0.55
PKM P14618 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL8312039 0.94 BACE1 (0.98) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8311972 0.94 BACE1 (1.00) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8305872 0.92 BACE1 (0.91) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8303951 0.90 BACE1 (0.89) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8306046 0.89 BACE1 (0.84) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8310925 0.85 BACE1 (0.81) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8305724 0.85 BACE1 (0.73) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8311945 0.84 BACE1 (0.72) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8308103 0.84 BACE1 (0.72) BACE1KDM4EKMT2AMEN1MAPT
SCHEMBL8306903 0.82 KDM4E (0.74) BACE1KDM4EKMT2AMEN1MAPT

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-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 WO disclosed