SCHEMBL22184064

SCHEMBL22184064

CCCCNC1c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 1.00
BCHE P06276 2/20 1.00
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
HTR2A P28223 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR2C P28335 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL3259666 0.94 BCHE (0.89) ACHEBCHEKMT2AMEN1HTR2A
SCHEMBL12281008 0.88 ACHE (0.79) ACHEBCHEKMT2AMEN1HTR2A
SCHEMBL4210831 0.79 ACHE (0.66) ACHEBCHEKMT2AMEN1HTR2A
SCHEMBL11935647 0.78 ACHE (0.64) ACHEBCHEKMT2AMEN1HTR2A
SCHEMBL9669489 0.77 BCHE (0.59) ACHEBCHEKMT2AMEN1APAF1
SCHEMBL28119573 0.76 BCHE (0.58) ACHEBCHEKMT2AMEN1ALDH1A1
SCHEMBL12354492 0.76 BCHE (0.61) ACHEBCHEKMT2AMEN1HTR2A
SCHEMBL7208945 0.75 BCHE (0.58) ACHEBCHEKMT2AMEN1APAF1
SCHEMBL7208939 0.75 BCHE (0.58) ACHEBCHEKMT2AMEN1APAF1
SCHEMBL4925470 0.75 BCHE (0.60) ACHEBCHEKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200212306-A1 QUANTUM DOT ELECTROLUMINESCENCE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 US disclosed