SCHEMBL19829391

SCHEMBL19829391

CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.98
HSD17B10 Q99714 3/20 0.98
CYP1A2 P05177 2/20 0.98
CYP2D6 P10635 2/20 0.98
CYP2C9 P11712 2/20 0.98
CYP2C19 P33261 2/20 0.98
MAPK1 P28482 1/20 0.98
ALDH1A1 P00352 2/20 0.75
GAA P10253 1/20 0.75
MAPT P10636 1/20 0.75
HPGD P15428 1/20 0.75
ALOX15 P16050 1/20 0.75
TRPM8 Q7Z2W7 1/20 0.55
CYP19A1 P11511 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL12765863 1.00 KDM4E (0.98) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL2216260 1.00 KDM4E (0.98) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL11366297 0.91 KDM4E (0.82) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1491317 0.86 KDM4E (1.00) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL19161142 0.86 KDM4E (1.00) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1491505 0.86 KDM4E (1.00) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1491315 0.86 KDM4E (1.00) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL20524879 0.85 KDM4E (0.73) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL29535576 0.85 KDM4E (0.73) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL11881740 0.85 KDM4E (0.73) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295673-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-09-21 US disclosed
US-10947572-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2021-03-16 US disclosed
EP-3068793-B1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2021-02-17 EP disclosed
US-10787689-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2020-09-29 US disclosed
US-20200032303-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-01-30 US disclosed
US-10407668-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2019-09-10 US disclosed
US-20180030419-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-02-01 US disclosed