SCHEMBL18905201

SCHEMBL18905201

c1ccc2c(c1)NC1c3ccccc3NC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
MCL1 Q07820 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
HTR5A P47898 1/20 0.38
PIM1 P11309 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
TSHR P16473 2/20 0.36
IDO1 P14902 2/20 0.36

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
SCHEMBL19032599 0.85 NLRP3 (0.38) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL13679107 0.76 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22652986 0.74 HTR2A (0.39) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL14460914 0.74 NLRP3 (0.49) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL13140034 0.73 NLRP3 (0.44) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL20921450 0.73 HTR5A (0.37) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL30628620 0.73 NLRP3 (0.44) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL23260314 0.72
SCHEMBL22506947 0.72 MEN1 (0.38) NLRP3MEN1KMT2AMAPTALDH1A1
SCHEMBL21882573 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10930853-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-23 US disclosed
US-20170155048-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed