SCHEMBL8304419

SCHEMBL8304419

CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3ccc(Cl)cc3)c2c1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.83
POLB P06746 2/20 0.83
TP53 P04637 3/20 0.65
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
BACE1 P56817 3/20 0.55
PKM P14618 1/20 0.53
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL8304143 0.87 MEN1 (0.69) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8304042 0.86 MAPT (0.62) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8307088 0.86 MAPT (0.76) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8303994 0.86 KMT2A (0.63) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8304039 0.85 TP53 (0.61) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8312211 0.84 MAPT (0.75) MAPTPOLBTP53KMT2ABACE1
SCHEMBL8307716 0.84 KDM4E (0.65) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8303990 0.84 KDM4E (0.63) MAPTPOLBTP53KMT2AMEN1
SCHEMBL8312498 0.84 MAPT (0.75) MAPTPOLBTP53KMT2ABACE1
SCHEMBL8303993 0.84 TP53 (0.60) MAPTPOLBTP53KMT2AMEN1

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