SCHEMBL23816640

SCHEMBL23816640

c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.38
CDC14A Q9UNH5 2/20 0.38
MAPT P10636 8/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 5/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 4/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
PIM3 Q86V86 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
SCHEMBL17252965 0.98 CDC14B (0.36) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22377386 0.95 ALOX5 (0.37) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22375999 0.95 ALOX5 (0.37) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22377406 0.95 ALOX5 (0.38) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22377405 0.95 ALOX5 (0.36) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22375977 0.94 ALOX5 (0.35) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22375859 0.94 ALOX5 (0.35) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL23821579 0.94 ALOX5 (0.35) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL22376438 0.94 ALOX5 (0.35) CDC14BCDC14AMAPTALDH1A1KDM4E
SCHEMBL23816642 0.93 CDC14B (0.38) CDC14BCDC14AMAPTALDH1A1KDM4E

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-2021182834-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-09-16 WO disclosed