SCHEMBL8311315

SCHEMBL8311315

COCCCNC(=O)c1cc(-c2cccs2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
THRB P10828 1/20 0.74
KMT2A Q03164 4/20 0.68
RXFP1 Q9HBX9 2/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 4/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.54
HPGD P15428 2/20 0.54
GLA P06280 1/20 0.54
MEN1 O00255 2/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
BACE1 P56817 1/20 0.47
PKM P14618 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
SCHEMBL8311946 0.87 KDM4E (0.61) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL8308066 0.78 LMNA (0.86) LMNATHRBKMT2ARXFP1MAPT
SCHEMBL8303840 0.73 KMT2A (0.80) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL8304067 0.73 LMNA (0.78) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL8308627 0.72 KMT2A (0.73) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL8311182 0.71 RXFP1 (0.61) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL13253390 0.71 ATM (0.54) LMNAKMT2ARXFP1ALDH1A1KDM4E
SCHEMBL8308067 0.71 KMT2A (0.78) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL8308248 0.70 RXFP1 (0.75) LMNATHRBKMT2ARXFP1ALDH1A1
SCHEMBL8311184 0.70 RXFP1 (0.60) LMNATHRBKMT2ARXFP1ALDH1A1

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