SCHEMBL6587620

SCHEMBL6587620

CC1CNc2ccccc2N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRPF1 P55201 1/20 0.44
BRD4 O60885 3/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
GPR3 P46089 1/20 0.35
PTPN1 P18031 1/20 0.35
HSD17B3 P37058 1/20 0.35
ALOX12 P18054 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34

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
SCHEMBL4996077 0.81 BRPF1 (0.42) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL28324498 0.79 MEN1 (0.44) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL27641117 0.77 BRPF1 (0.45) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL22506971 0.77 MEN1 (0.41) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL23734035 0.74 GAA (0.40) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL16722422 0.74 NOTUM (0.55) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL16722424 0.74 NOTUM (0.55) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL30191492 0.73 MEN1 (0.36) GAAMEN1KMT2ABRPF1BRD4
SCHEMBL30858577 0.73 ALDH1A1 (0.37) GAAMEN1KMT2AHTR2AHTR2C
SCHEMBL19997193 0.69 PTPN1 (0.46) GAAMEN1KMT2ABRPF1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012112758-A2 VIRTUAL HYDROGEN STORAGE PROCESSES AND RELATED CATALYSTS AND SYSTEMS YALE UNIVERSITY (US) 2012-08-23 WO disclosed
EP-0746555-B1 HIGH TEMPERATURE EPOXY RESINS SECR DEFENCE (GB) 2004-06-30 EP disclosed
US-5710242-A High temperature epoxy resins from hydrogenated quinoxalines THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) 1998-01-20 US disclosed