SCHEMBL13746212

SCHEMBL13746212

CN1CCCC(C(=O)NCc2ccccc2Cl)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
P2RX7 Q99572 1/20 0.59
LMNA P02545 4/20 0.58
ALDH1A1 P00352 2/20 0.58
PKM P14618 2/20 0.57
PLA2G1B P04054 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 3/20 0.57
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
THRB P10828 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.55
EPHX2 P34913 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL13746191 0.84 TP53 (0.68) KMT2AP2RX7LMNAALDH1A1PKM
SCHEMBL13287103 0.83 GAA (0.68) KMT2AALDH1A1TP53NPSR1GAA
SCHEMBL21696565 0.81 POLB (0.65) P2RX7LMNAALDH1A1PKML3MBTL1
SCHEMBL5246662 0.80 PKM (0.67) LMNAALDH1A1PKMPLA2G1BATG4B
SCHEMBL5244196 0.80 LMNA (0.67) KMT2ALMNAALDH1A1PKMPLA2G1B
SCHEMBL2467120 0.79 NPC1 (0.66) KMT2AP2RX7LMNAALDH1A1PKM
SCHEMBL13923294 0.77 TSHR (0.69) KMT2ALMNAALDH1A1PKMKDM4E
SCHEMBL13923296 0.77 HSD17B10 (0.72) KMT2AALDH1A1PKML3MBTL1KDM4E
SCHEMBL5243056 0.76 PKM (0.81) KMT2ALMNAALDH1A1PKML3MBTL1
SCHEMBL13408652 0.76 ALDH1A1 (0.69) KMT2AALDH1A1L3MBTL1GAAPOLB

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed