SCHEMBL22453411

SCHEMBL22453411

CCOC(=O)c1cncnc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDR P35968 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
SCHEMBL22452693 0.86 SERPINE1 (0.45) HIF1ASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL22453545 0.83 HPGD (0.52) HIF1ANPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL22453409 0.80 HIF1A (0.49) HIF1AEGFRSMN1; SMN2MEN1KMT2A
SCHEMBL22453416 0.78 HIF1A (0.42) HIF1ACNR2SMN1; SMN2MEN1KMT2A
SCHEMBL22452572 0.78 MAPT (0.45) HIF1ANPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL22453117 0.78 CNR2 (0.53) HIF1ACNR2NPSR1SMN1; SMN2MEN1
SCHEMBL22453142 0.77 EPHX2 (0.40) HIF1ACNR2SMN1; SMN2RAB9AHPGD
SCHEMBL22452942 0.77 HIF1A (0.41) HIF1ACNR2NPSR1KMT2ALMNA
SCHEMBL22453230 0.75 SERPINE1 (0.46) HIF1ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22452964 0.73 NPC1 (0.43) EGFRSMN1; SMN2MEN1KMT2ALMNA

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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