SCHEMBL22452573

SCHEMBL22452573

CCOC(=O)c1cccn1Cc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.57
▸ CNR2 P34972 3/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ P2RX3 P56373 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL22452687 0.88 EPHX2 (0.53) EPHX2CNR2CNR1CYP2C9
SCHEMBL22453142 0.85 EPHX2 (0.40) EPHX2CNR2HIF1ACYP2C9
SCHEMBL22453545 0.83 HPGD (0.52) EPHX2HIF1AMAPTTHRB
SCHEMBL22452572 0.81 MAPT (0.45) EPHX2HIF1ACYP2C9MAPT
SCHEMBL22453417 0.79 CYP11B1 (0.48) EPHX2HIF1ACYP2C9MAPT
SCHEMBL22453416 0.78 HIF1A (0.42) CNR2HIF1AMAPT
SCHEMBL22453409 0.76 HIF1A (0.49) HIF1AMAPT
SCHEMBL22453411 0.75 SYK (0.39) CNR2HIF1AMAPT
SCHEMBL22453525 0.73 MAPT (0.50) EPHX2CNR2HIF1AMAPT
SCHEMBL22452964 0.73 NPC1 (0.43) EPHX2MAPT

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