SCHEMBL22453561

SCHEMBL22453561

COC(=O)c1ccccc1N(C)c1ccc(N(C)c2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.53
▸ FAAH O00519 6/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ATM Q13315 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ EPHX2 P34913 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ EPHX1 P07099 2/20 0.42

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 0.90 FAAH (0.53) CNR2FAAHKMT2AMEN1ATM
SCHEMBL22453032 0.86 CNR2 (0.47) CNR2FAAHKMT2AMEN1ATM
SCHEMBL22452698 0.79 EPHX2 (0.49) CNR2FAAHKMT2AMEN1ATM
SCHEMBL22453768 0.78 USP2 (0.42) CNR2FAAHKMT2AMEN1PKM
SCHEMBL22453489 0.75 KMT2A (0.42) KMT2AALDH1A1MAPTNPSR1KDM4E
SCHEMBL22452667 0.73 HIF1A (0.44) KMT2AMEN1NPSR1HTT
SCHEMBL22452673 0.73 PGR (0.50) KMT2ANPSR1HTT
SCHEMBL14503290 0.72 FAAH (0.82) CNR2FAAHKMT2AMEN1ATM
SCHEMBL4956421 0.72 KMT2A (0.59) KMT2AATMALDH1A1MAPTHPGD
SCHEMBL22453481 0.72 PGR (0.46) CNR2KMT2ANPSR1HTT

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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