SCHEMBL22452942

SCHEMBL22452942

COC(=O)c1ccncc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ SERPINE1 P05121 2/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ EPAS1 Q99814 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MDH1 P40925 2/20 0.36
▸ MDH2 P40926 2/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL22452686 0.89 KDM5A (0.50) HIF1ANPC1KDM5AKDM5BSERPINE1
SCHEMBL22453525 0.86 MAPT (0.50) HIF1ANPC1SERPINE1EPHX2EPAS1
SCHEMBL22453117 0.84 CNR2 (0.53) HIF1ANPC1EPAS1MAPTNPSR1
SCHEMBL22453230 0.83 SERPINE1 (0.46) HIF1ANPC1KDM5AKDM5BSERPINE1
SCHEMBL22453556 0.83 HIF1A (0.56) HIF1ANPC1SERPINE1EPHX2EPAS1
SCHEMBL22453408 0.82 HIF1A (0.40) HIF1ANPC1SERPINE1EPAS1MAPT
SCHEMBL22452949 0.81 HIF1A (0.42) HIF1ANPC1SERPINE1EPAS1MAPT
SCHEMBL22452941 0.81 HIF1A (0.40) HIF1ANPC1SERPINE1EPHX2EPAS1
SCHEMBL22453555 0.81 HIF1A (0.44) HIF1ANPC1SERPINE1EPHX2EPAS1
SCHEMBL22453680 0.80 SERPINE1 (0.53) HIF1ANPC1SERPINE1MAPTKDM4E

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
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