SCHEMBL4540289

SCHEMBL4540289

CC(=O)N(c1ccccc1)c1cccc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.49
RXRB P28702 5/20 0.49
RXRG P48443 5/20 0.49
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
CXCR5 P32302 1/20 0.39
LMNA P02545 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6648904 0.84 RXRA (0.41) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL6416192 0.82 RXRA (0.44) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL11775628 0.80 RXRA (0.49) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL9092770 0.78 RXRA (0.53) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL8384554 0.76 BCL2L1 (0.46) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL7066399 0.74 PTPN1 (0.55) RXRARXRBRXRGMEN1KMT2A
SCHEMBL7985338 0.74 KMT2A (0.54) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL942431 0.73 NPC1 (0.47) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8034169 0.73 PTPN1 (0.50) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL13868390 0.72 ALDH1A1 (0.42) RXRARXRBRXRGALDH1A1MEN1

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-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed