SCHEMBL22452507

SCHEMBL22452507

COC(=O)c1ccccc1Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HIF1A Q16665 9/20 0.50
▸ EPAS1 Q99814 3/20 0.50
▸ EPHX2 P34913 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MDH1 P40925 2/20 0.46
▸ MDH2 P40926 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL22452503 0.93 MAPT (0.58) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22452652 0.89 EPHX2 (0.61) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22453205 0.88 MAPT (0.46) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22452501 0.88 MAPT (0.55) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22453221 0.86 HIF1A (0.51) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22452577 0.86 HIF1A (0.51) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22452848 0.85 MAPT (0.49) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22453658 0.85 MAPT (0.49) MAPTALOX15HIF1AEPAS1EPHX2
SCHEMBL22453681 0.85 ELANE (0.56) MAPTHIF1AEPAS1NPC1MDH1
SCHEMBL22453772 0.84 MAPT (0.48) MAPTALOX15HIF1AEPAS1EPHX2

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
Send feedback