SCHEMBL9836082

SCHEMBL9836082

CCC1C(=O)Nc2cc3[nH]c(C(C)C)nc3cc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PGR P06401 1/20 0.38
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.31
MLKL Q8NB16 1/20 0.31
SCN10A Q9Y5Y9 2/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL9836111 0.83 HSD17B10 (0.47) KDM4ELMNAHSD17B10PGRATM
SCHEMBL9833658 0.82 FABP6 (0.43) PGRMEN1KMT2AALDH1A1AKT1
SCHEMBL9834590 0.82 PGR (0.40) KDM4EPGRATMALDH1A1
SCHEMBL9835234 0.82 PGR (0.40) PGRALDH1A1
SCHEMBL9834766 0.80 KMT2A (0.48) KDM4EPGRHTTKMT2A
SCHEMBL9835004 0.80 HPGD (0.40) HSD17B10PGRMEN1HTTKMT2A
SCHEMBL9834606 0.79 KDM4E (0.45) KDM4ELMNAHSD17B10PGRHTT
SCHEMBL10374413 0.78 PGR (0.47) KDM4ELMNAHSD17B10PGRMEN1
SCHEMBL9833698 0.77 PGR (0.36) PGRATMMEN1HTTKMT2A
SCHEMBL9833008 0.76 LMNA (0.44) LMNAPGRMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed