SCHEMBL7782575

SCHEMBL7782575

COc1cccc2c(C(=O)c3ccc(Br)c4ccccc34)c(C)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46

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
SCHEMBL7784376 0.86 HPGD (0.46) CNR2HPGDALDH1A1KMT2AMEN1
SCHEMBL8070069 0.86 ALDH1A1 (0.46) CNR2HPGDALDH1A1KMT2AMEN1
SCHEMBL7218658 0.75 NR4A2 (0.59) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7217500 0.72 ALDH1A1 (0.52) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7782582 0.69 CNR2 (0.71) CNR2CNR1
SCHEMBL7839279 0.67 NR4A2 (0.59) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL9452783 0.67 KDM4E (0.63) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29956415 0.67 ALDH1A1 (0.62) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL869550 0.65 BRD4 (0.50) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL30854919 0.65 KDM4E (0.69) HPGDALDH1A1KMT2AMEN1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833818-B1 3-ACYLINDOLES AS CB2 RECEPTOR AGONISTS SANOFI SYNTHELABO (FR) 2001-10-17 EP disclosed
US-6013648-A IMMUNOMODULATORS SANOFI (FR) 2000-01-11 US disclosed
EP-0833818-A1 CB 2? RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1998-04-08 EP disclosed
WO-1997000860-A1 CB2 RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1997-01-09 WO disclosed