SCHEMBL6037669

SCHEMBL6037669

C[C@@H](N)Cc1cn(O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
TAAR1 Q96RJ0 5/20 0.34
SLC6A2 P23975 3/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
CPB2 Q96IY4 6/20 0.34
CPB1 P15086 3/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL10670324 0.78 HRH4 (0.55) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL867807 0.78 HRH4 (0.55) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL14025146 0.77 CPB2 (0.40) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL14798187 0.77 CYP1A2 (0.45) ALDH1A1MEN1KMT2ACYP1A2NFKB1
SCHEMBL60911 0.77 CYP1A2 (0.45) ALDH1A1MEN1KMT2ACYP1A2NFKB1
Hydrochloric Acid SCHEMBL6697015 0.75 TYR (0.45) ALDH1A1MEN1KMT2ACYP1A2NFKB1
SCHEMBL594580 0.75 CPB2 (0.42) CPB2CPB1
Hydrochloric Acid SCHEMBL11418503 0.74 CPB2 (0.41) CPB2CPB1
Hydrochloric Acid SCHEMBL1521823 0.74 CPB2 (0.41) CPB2CPB1
SCHEMBL1779971 0.72 CPB2 (0.40) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9228004-B2 Selection of host cells expressing protein at high levels CHROMAGENICS B.V. (NL) 2016-01-05 US disclosed
US-20140106401-A1 SELECTION OF HOST CELLS EXPRESSING PROTEIN AT HIGH LEVELS CHROMAGENICS B.V. (NL) 2014-04-17 US disclosed
US-20060195935-A1 Selection of host cells expressing protein at high levels CHROMAGENICS B.V. (NL) 2006-08-31 US disclosed
EP-0555315-B1 HUMAN CELL LINE STABLY EXPRESSING 5cDNAs ENCODING PROCARCINOGEN-ACTIVATING ENZYMES GENTEST CORP (US) 2004-04-28 EP disclosed
US-5726041-A Method for detecting a receptor-ligand complex using a cytochrome P450 reporter gene GENTEST CORPORATION (US) 1998-03-10 US disclosed
WO-1997008342-A1 CYTOCHROME P450 REPORTER GENE GENTEST CORPORATION (US) 1997-03-06 WO disclosed
US-5429948-A Human cell line stably expressing 5cDNAS encoding procarcinogen-activating enzymes and related mutagenicity assays GENTEST CORPORATION (US) 1995-07-04 US disclosed
EP-0555315-A4 HUMAN CELL LINE STABLY EXPRESSING 5CDNAS ENCODING PROCARCINOGEN-ACTIVATING ENZYMES GENTEST CORP (US) 1994-08-17 EP disclosed
EP-0555315-A1 HUMAN CELL LINE STABLY EXPRESSING 5cDNAs ENCODING PROCARCINOGEN-ACTIVATING ENZYMES GENTEST CORPORATION (US) 1993-08-18 EP disclosed
WO-1992007085-A1 HUMAN CELL LINE STABLY EXPRESSING 5cDNAs ENCODING PROCARCINOGEN-ACTIVATING ENZYMES GENTEST CORPORATION (US) 1992-04-30 WO disclosed