SCHEMBL22453036

SCHEMBL22453036

CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(N(C)c2ncccc2C(=O)O)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.36
▸ EPAS1 Q99814 2/20 0.36
▸ RBP4 P02753 1/20 0.34
▸ LTC4S Q16873 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PGR P06401 1/20 0.33

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
SCHEMBL22452674 0.91 CNR2 (0.42) HIF1AEPAS1LTC4SKMT2ANPSR1
SCHEMBL22453252 0.88 HIF1A (0.39) HIF1AEPAS1LTC4SKMT2ASERPINE1
SCHEMBL22453242 0.87 HIF1A (0.43) HIF1AEPAS1LTC4SKMT2ASERPINE1
SCHEMBL22453014 0.86 HIF1A (0.37) HIF1AEPAS1LTC4SKMT2ASERPINE1
SCHEMBL22453245 0.86 LTC4S (0.41) HIF1AEPAS1LTC4SKMT2ASERPINE1
SCHEMBL22453012 0.84 LTC4S (0.39) HIF1AEPAS1LTC4SKMT2ASERPINE1
SCHEMBL22452487 0.82 HIF1A (0.47) HIF1AEPAS1KMT2ASERPINE1LMNA
SCHEMBL22453241 0.82 NPC1 (0.44) HIF1AEPAS1KMT2ASERPINE1DHODH
SCHEMBL22452744 0.81 SERPINE1 (0.38) HIF1AEPAS1LTC4SKMT2ASERPINE1
SCHEMBL22452675 0.80 MDH1 (0.39) HIF1AEPAS1KMT2ANPSR1CYP2C9

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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