SCHEMBL22453322

SCHEMBL22453322

CNC(=O)c1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ SERPINE1 P05121 2/20 0.42
▸ MAPK3 P27361 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ULK1 O75385 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ PKMYT1 Q99640 1/20 0.40
▸ P2RX7 Q99572 3/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL22453611 0.89 P2RX7 (0.43) EPHX2SERPINE1MAPK1NPC1PTK2
SCHEMBL22452486 0.88 HIF1A (0.50) EPHX2SERPINE1NPC1LMNAMAPT
SCHEMBL22453525 0.88 MAPT (0.50) EPHX2SERPINE1NPC1LMNAMAPT
SCHEMBL22452762 0.87 SIRT2 (0.46) EPHX2SERPINE1NPC1MAPK10MAPK9
SCHEMBL22453612 0.87 P2RX7 (0.43) EPHX2SERPINE1NPC1MAPK10MAPK9
SCHEMBL31555349 0.82 SERPINE1 (0.51) EPHX2SERPINE1NPC1LMNAMAPT
SCHEMBL22453520 0.82 SERPINE1 (0.51) EPHX2SERPINE1NPC1LMNAMAPT
SCHEMBL22452789 0.82 SERPINE1 (0.61) EPHX2SERPINE1NPC1LMNAMAPT
SCHEMBL22452715 0.82 SERPINE1 (0.64) EPHX2SERPINE1NPC1LMNAMAPT
SCHEMBL22452790 0.82 SERPINE1 (0.51) POLBSERPINE1NPC1LMNAMAPT

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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