SCHEMBL24028844

SCHEMBL24028844

CC(C)(O)C(C)(C)OBc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc3oc4ccccc4c23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.33
ALDH1A1 P00352 5/20 0.33
TSHR P16473 4/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.32
TERT O14746 2/20 0.32
ADORA3 P0DMS8 1/20 0.30
ALOX15 P16050 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL24034565 0.92 MAPT (0.32) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL24030557 0.91 TERT (0.31) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL24030726 0.90 MAPT (0.33) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL21563732 0.86 TSHR (0.39) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL24028931 0.84 ABCG2 (0.37) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL20391904 0.82 PLA2G2A (0.34) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL27334209 0.81 ADRB2 (0.37) KMT2AADRB2L3MBTL1
SCHEMBL19007355 0.81 ADORA1 (0.38) MAPTTSHRLMNAPOLBKMT2A
SCHEMBL19802352 0.80 ADRB2 (0.41) MAPTALDH1A1HSD17B10KMT2AADRB2
SCHEMBL27335025 0.79 ADRB2 (0.36) ALDH1A1LMNAKMT2AADRB2KDM4E

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-2021230654-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 WO disclosed