SCHEMBL27366629

SCHEMBL27366629

Cc1ccc(CCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
NPC1 O15118 3/20 0.70
KMT2A Q03164 2/20 0.59
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
GPR84 Q9NQS5 2/20 0.52
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
POLB P06746 2/20 0.51
SCN5A Q14524 1/20 0.51
SCN2A Q99250 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CNR1 P21554 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
GSK3B P49841 1/20 0.48

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
SCHEMBL11123550 0.91 GPR84 (0.59) RAB9AL3MBTL1NPC1KMT2AMAPT
SCHEMBL4940823 0.91 KMT2A (0.62) RAB9AL3MBTL1NPC1KMT2ACES2
SCHEMBL23518790 0.84 ALDH1A1 (0.61) RAB9AL3MBTL1NPC1KMT2ALMNA
SCHEMBL11431321 0.84 NPC1 (0.69) RAB9AL3MBTL1NPC1KMT2ALMNA
SCHEMBL4096780 0.83 NPC1 (0.71) RAB9AL3MBTL1NPC1KMT2ALMNA
SCHEMBL656856 0.83 NPC1 (0.71) RAB9AL3MBTL1NPC1KMT2ALMNA
SCHEMBL657632 0.83 TP53 (0.59) RAB9ANPC1KMT2AGPR84SLC5A1
SCHEMBL10909010 0.83 L3MBTL1 (0.54) RAB9AL3MBTL1NPC1KMT2ALMNA
SCHEMBL6202254 0.83 TP53 (0.59) RAB9ANPC1KMT2AGPR84SLC5A1
SCHEMBL3078714 0.82 L3MBTL1 (0.68) RAB9AL3MBTL1NPC1KMT2ACES2

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-2024026512-A2 INHIBITORS OF MYC AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2024-02-01 WO disclosed