SCHEMBL6992970

SCHEMBL6992970

c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
HSD11B1 P28845 1/20 0.54
LMNA P02545 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PLA2G10 O15496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6993952 0.95 HSD11B1 (0.59) BRD4HSD11B1
SCHEMBL6990217 0.80 PTGS2 (0.47) BRD4HSD11B1
SCHEMBL6987934 0.77 PTGS1 (0.52) BRD4
SCHEMBL6998152 0.76 KDM4E (0.44) BRD4HSD11B1KDM4EPLA2G10ALDH1A1
SCHEMBL6996631 0.76 KDM4E (0.44) BRD4HSD11B1KDM4EPLA2G10ALDH1A1
SCHEMBL12723082 0.74 PARP1 (0.52) BRD4HSD11B1MAPK10HSD17B10
SCHEMBL12723081 0.74 BRD4 (0.50) BRD4HSD11B1LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8015300 0.74 KDM4E (0.43) BRD4HSD11B1KDM4EPLA2G10ALDH1A1
SCHEMBL12723097 0.73 PARP1 (0.48) BRD4HSD11B1LMNAKDM4EALDH1A1
SCHEMBL7685336 0.73 BRD4 (0.68) BRD4HSD11B1HSD17B10

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-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed