SCHEMBL8538147

SCHEMBL8538147

COc1ccc(OCC2CCC(Cn3ccnc3)CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL9375365 1.00 CYP19A1 (0.48) CYP19A1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL8542104 0.79 MEN1 (0.46) CYP19A1RAB9AMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9270397 0.79 MEN1 (0.46) CYP19A1RAB9AMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9270401 0.79 MEN1 (0.46) CYP19A1RAB9AMEN1KMT2AMAPK1
SCHEMBL9261725 0.79 MAPK1 (0.45) CYP19A1RAB9AMEN1KMT2AMAPK1
SCHEMBL9261716 0.79 MAPK1 (0.45) CYP19A1RAB9AMEN1KMT2AMAPK1
SCHEMBL9285699 0.77 KDM4E (0.70) RAB9AMEN1KMT2AMAPK1TP53
SCHEMBL11464483 0.76 NPC1 (0.42) NPC1RAB9A
SCHEMBL9267414 0.75 MEN1 (0.72) RAB9AMEN1KMT2AMAPK1TP53
SCHEMBL9260326 0.75 MEN1 (0.72) RAB9AMEN1KMT2AMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274867-B1 Pharmaceutically active compounds SCHERING CORP (US) 1994-04-13 EP claimed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP claimed
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
EP-0274867-B1 Pharmaceutically active compounds SCHERING CORP (US) 1994-04-13 EP disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP disclosed