SCHEMBL8312507

SCHEMBL8312507

CC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCc4cccnc4)c3c2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
NPSR1 Q6W5P4 3/20 0.66
GAA P10253 2/20 0.66
USP2 O75604 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 1/20 0.66
NAMPT P43490 2/20 0.61
TP53 P04637 1/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 2/20 0.55
BACE1 P56817 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
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
SCHEMBL8304644 0.91 LMNA (0.66) LMNANPSR1GAAUSP2SMN1; SMN2
SCHEMBL8304662 0.91 TP53 (0.63) LMNANPSR1GAAUSP2SMN1; SMN2
SCHEMBL8312633 0.89 ALDH1A1 (0.69) LMNANPSR1GAAUSP2SMN1; SMN2
SCHEMBL8304659 0.87 TP53 (0.64) LMNATP53ALDH1A1BACE1HTT
SCHEMBL8306064 0.85 MAPT (0.66) LMNAGAATSHRNAMPTTP53
SCHEMBL8304655 0.84 MAPT (0.62) TP53ALDH1A1BACE1MEN1KMT2A
SCHEMBL8303967 0.83 TP53 (0.58) LMNAUSP2SMN1; SMN2TSHRTP53
SCHEMBL8312026 0.83 ALDH1A1 (0.57) LMNANPSR1GAAUSP2SMN1; SMN2
SCHEMBL8311503 0.83 ALDH1A1 (0.57) LMNANPSR1GAAUSP2SMN1; SMN2
SCHEMBL8304392 0.82 ALDH1A1 (0.68) LMNASMN1; SMN2TP53ALDH1A1BACE1

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