SCHEMBL22453032

SCHEMBL22453032

CN(c1ccc(N(C)c2ccccc2C(=O)O)cc1)c1cccc(C(=O)NC23CC4CC(C2)C(C4)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.47
▸ FAAH O00519 6/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ATM Q13315 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ EPHX1 P07099 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL22452699 0.95 FAAH (0.53) CNR2FAAHKMT2AMEN1ATM
SCHEMBL22453561 0.86 CNR2 (0.53) CNR2FAAHKMT2AMEN1ATM
SCHEMBL22452698 0.84 EPHX2 (0.49) CNR2FAAHKMT2AMEN1ATM
SCHEMBL22452717 0.76 SERPINE1 (0.48) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL22452516 0.72 HIF1A (0.47) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL19808672 0.70 FAAH (0.75) CNR2FAAHKMT2AMEN1ATM
SCHEMBL14503290 0.69 FAAH (0.82) CNR2FAAHKMT2AMEN1ATM
SCHEMBL4249310 0.69 ALDH1A1 (0.50) ALDH1A1MAPTHTTKDM4EHPGD
SCHEMBL22453243 0.68 SERPINE1 (0.50) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL22452514 0.68 NPC1 (0.47) KMT2AMEN1ALDH1A1MAPTHTT

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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