SCHEMBL19902028

SCHEMBL19902028

Ic1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.56
NUDT1 P36639 3/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 3/20 0.51
RAD52 P43351 1/20 0.51
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
DHODH Q02127 2/20 0.46
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL16919331 0.96 ADORA2A (0.60) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL19808070 0.87 ADORA2A (0.49) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL20071418 0.82 ADORA2A (0.43) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL19991708 0.81 ADORA2A (0.45) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL18786370 0.79 MEN1 (0.69) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL22483256 0.78 MEN1 (0.80) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL22058673 0.78 MEN1 (0.80) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL15003455 0.77 ADORA2A (0.56) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL808191 0.77 KDM4E (0.77) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL12281655 0.77 ADORA2A (0.92) ADORA2ANUDT1MEN1KMT2AATM

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-9905778-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed