SCHEMBL19732068

SCHEMBL19732068

COC(=O)c1ccccc1N1c2ccccc2CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 3/20 0.52
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CFTR P13569 1/20 0.46
HSD17B3 P37058 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NOTUM Q6P988 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL15434915 0.86 MYC (0.66) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL156641 0.81 MEN1 (0.57) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL9886623 0.77 P2RX4 (0.57) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL19717923 0.77 KDM4E (0.62) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL28472385 0.77 TLR9 (0.58) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL19717457 0.76 MYC (0.54) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL30109558 0.76 PRMT5 (0.54) MYCSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL28744540 0.75 MYC (0.53) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL28744526 0.75 MYC (0.53) MYCSMN1; SMN2MEN1KMT2APOLB
SCHEMBL15434893 0.75 MYC (0.53) MYCSMN1; SMN2MEN1KMT2APOLB

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
WO-2017216299-A1 EMITTER MOLECULES ON THE BASIS OF DUAL-FLUORESCENCE BENZENE (POLY)CARBOXYLATE ACCEPTORS Technische Universität Dresden (DE) 2017-12-21 WO disclosed