SCHEMBL24905545

SCHEMBL24905545

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4cccc5c4Sc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
MAPT P10636 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
NTSR1 P30989 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.33
ADORA3 P0DMS8 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32

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
SCHEMBL24648245 1.00 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24647901 0.95 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24905616 0.95 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24905611 0.94 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24648157 0.94 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24647690 0.94 MAOB (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24905617 0.94 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24648236 0.94 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24647904 0.94 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24647905 0.94 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD

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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed