SCHEMBL22986978

SCHEMBL22986978

c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
PIM3 Q86V86 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
GPR3 P46089 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
OPRK1 P41145 1/20 0.31
PTPN7 P35236 1/20 0.31

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
SCHEMBL23437475 0.98 PIM3 (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437168 0.98 PIM3 (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437061 0.96 PIM3 (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437110 0.96 PIM3 (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437719 0.96 PIM3 (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23436981 0.95 PIM3 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437136 0.95 PIM3 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437738 0.95 PIM3 (0.33) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23437520 0.95 PIM3 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22986981 0.94 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HPGD

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-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed