Sugi Predict

Sugi Predict / Compounds / SCHEMBL23738770

SCHEMBL23738770

SCHEMBL23738770

c1ccc(-c2cc(-n3c4cc5c(cc4c4c6ccccc6ccc43)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL23184510 0.97 MAPT (0.35) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23738902 0.91 KDM4E (0.33) MAPTMAPK1HPGDKDM4EALDH1A1
SCHEMBL23739047 0.89 KDM4E (0.30) MAPTTSHRMAPK1HSD17B10HPGD
SCHEMBL23738767 0.89 KDM4E (0.30) MAPTHPGDKDM4EALDH1A1
SCHEMBL23738750 0.89 KDM4E (0.34) MAPTMAPK1HPGDKDM4EALDH1A1
SCHEMBL23183982 0.88 KDM4E (0.33) MAPTMAPK1HPGDKDM4EALDH1A1
SCHEMBL23184441 0.88 MAPT (0.38) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL20199596 0.88 MAPT (0.37) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23184821 0.88 MAPT (0.35) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL23738832 0.88 — —

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
EP-3388438-B1 SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 — — EP disclosed