SCHEMBL22487550

SCHEMBL22487550

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c4c3oc3ccccc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
ALDH1A1 P00352 6/20 0.36
TSHR P16473 4/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CDC14B O60729 1/20 0.35
CDC14A Q9UNH5 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL22486663 0.98 MAPT (0.35) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22487172 0.95 MAPT (0.34) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22487555 0.93 MAPT (0.35) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22487572 0.91 MAPT (0.36) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL21236443 0.91 MAPT (0.40) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22486655 0.91 MAPT (0.34) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22487389 0.90 MAPT (0.36) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22486654 0.89 MAPT (0.35) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24901003 0.89 CDC14B (0.38) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22485984 0.89 KDM4E (0.35) MAPTALDH1A1TSHRKDM4EPOLB

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-2020197253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-10-01 WO disclosed