SCHEMBL22453346

SCHEMBL22453346

OCc1cccnc1Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.40
▸ HIF1A Q16665 10/20 0.37
▸ TP53 P04637 1/20 0.35
▸ EPAS1 Q99814 3/20 0.34
▸ EGFR P00533 3/20 0.33
▸ ERBB2 P04626 3/20 0.33
▸ ERBB3 P21860 2/20 0.33
▸ ERBB4 Q15303 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RET P07949 1/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.33
▸ TTBK2 Q6IQ55 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
SCHEMBL22453075 0.85 DHODH (0.49) GRM4HIF1AEPAS1MEN1RAB9A
SCHEMBL22453756 0.83 CNR2 (0.49) GRM4HIF1AEPAS1MEN1RAB9A
SCHEMBL22452783 0.74 LMNA (0.33) HIF1AMEN1KMT2A
SCHEMBL22452811 0.74 HIF1A (0.52) HIF1AEPAS1MEN1KMT2A
SCHEMBL22453327 0.73 ALDH1A1 (0.55) MEN1RAB9AKMT2A
SCHEMBL22452888 0.73 EPHX2 (0.36) HIF1AMEN1RAB9AKMT2A
SCHEMBL22452478 0.73 HIF1A (0.40) HIF1AEPAS1
SCHEMBL22453205 0.72 MAPT (0.46) HIF1AEPAS1
SCHEMBL22452743 0.72 PDE10A (0.45) HIF1AEPAS1RAB9A
SCHEMBL22453118 0.72 CA12 (0.42) HIF1AMEN1RAB9AKMT2A

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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