SCHEMBL22452783

SCHEMBL22452783

CN(c1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1)c1ncccc1CO

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ EPHX2 P34913 2/20 0.31
▸ SERPINE1 P05121 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.30
▸ CASP2 P42575 1/20 0.30
▸ RCE1 Q9Y256 1/20 0.30

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
SCHEMBL22452697 0.86 SERPINE1 (0.41) LMNAMAPTGAAHTTNPSR1
SCHEMBL22452574 0.84 CNR2 (0.41) LMNANPC1SMN1; SMN2HIF1ASERPINE1
SCHEMBL22452747 0.78 SERPINE1 (0.41) LMNAMAPTGAAHTTNPSR1
SCHEMBL22452529 0.76 DHODH (0.41) LMNAMAPTHTTNPSR1NPC1
SCHEMBL22452579 0.76 CNR2 (0.40) LMNAMAPTGAAHTTNPSR1
SCHEMBL22452888 0.76 EPHX2 (0.36) LMNAMAPTGAANPC1SMN1; SMN2
SCHEMBL22453118 0.75 CA12 (0.42) LMNAMAPTGAAHTTNPSR1
SCHEMBL22453106 0.74 EPHX2 (0.39) LMNAGAAHTTNPC1HIF1A
SCHEMBL22453269 0.74 SERPINE1 (0.42) LMNANPC1SMN1; SMN2HIF1AEPHX2
SCHEMBL22452964 0.72 NPC1 (0.43) LMNAMAPTGAANPC1SMN1; SMN2

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