SCHEMBL7170207

SCHEMBL7170207

CC1C(=O)Nc2ccc(Cl)cc2N1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.52
HTR2C P28335 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
PGR P06401 1/20 0.38
CHRM1 P11229 1/20 0.37
AHR P35869 1/20 0.36
PTPN1 P18031 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL23662296 0.83 BRD4 (0.52) BRD4MEN1KMT2AAHRTP53
SCHEMBL15825941 0.78 BRD4 (0.47) BRD4MEN1KMT2ATP53MAPT
SCHEMBL15825879 0.77 BRD4 (0.47) BRD4MEN1KMT2ATP53MAPT
SCHEMBL21651855 0.77 ALOX15 (0.51) BRD4MEN1KMT2AMAPT
SCHEMBL15825403 0.75 BRD4 (0.45) BRD4MEN1KMT2ATP53MAPT
SCHEMBL7174420 0.74 MEN1 (0.44) BRD4HTR2CMEN1KMT2APGR
SCHEMBL17374035 0.73 BRD4 (0.41) BRD4MEN1KMT2AMAPT
SCHEMBL18064421 0.73 BRD4 (0.41) BRD4MEN1KMT2AMAPT
SCHEMBL21651800 0.72 OPRL1 (0.54) BRD4MEN1KMT2AMAPT
SCHEMBL16371457 0.71 BRD4 (0.42) BRD4MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657166-B1 Combination containing a quinoxaline and a nucleoside AVENTIS PHARMA GMBH (DE) 2003-04-09 EP disclosed
US-6369057-B1 VIRICIDES, IN PARTICULAR AGAINST RETROVIRUSES, HUMAN IMMUNODEFICIENCY VIRUS (HIV) AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-0509398-B1 Quinoxalines, process for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-19 EP disclosed
EP-0657166-A1 Combination containing a quinoxaline and a nucleoside HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-14 EP disclosed
EP-0509398-A1 Quinoxalines, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-21 EP disclosed