SCHEMBL22987016

SCHEMBL22987016

c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 5/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
AHR P35869 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
HCRTR1 O43613 1/20 0.35
TTR P02766 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5 P09917 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
SCHEMBL24647029 0.99 MAPT (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL24039307 0.99 MAPT (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL24039127 0.99 MAPT (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL23437052 0.98 MMP12 (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL23437084 0.98 MMP12 (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL24039308 0.98 MAPT (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL23437501 0.98 MMP12 (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL24039340 0.98 MAPT (0.38) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL23437316 0.96 MAPT (0.37) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL24905375 0.96 MMP12 (0.37) MAPTKMT2AALDH1A1MEN1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed