SCHEMBL22452710

SCHEMBL22452710

CC12CC3CC(C)(C1)CC(c1ccc(NS(=O)(=O)c4ccc(Nc5ccccc5C(=O)O)cc4)c(Cl)c1)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MIF P14174 1/20 0.41
▸ SLC25A1 P53007 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ CCR2 P41597 3/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ GPR27 Q9NS67 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ METAP2 P50579 1/20 0.37

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
SCHEMBL22453477 0.92 LMNA (0.42) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL22452713 0.89 DHODH (0.43) MEN1KMT2ALMNAALDH1A1CCR2
SCHEMBL22452725 0.88 MEN1 (0.46) MEN1KMT2ALMNAMIFSLC25A1
SCHEMBL22452983 0.84 MEN1 (0.48) MEN1KMT2ALMNAMIFSLC25A1
SCHEMBL22452630 0.83 LMNA (0.45) KMT2ALMNAPOLBALDH1A1TDP1
SCHEMBL22453074 0.82 PARP1 (0.41) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL22452805 0.82 FABP4 (0.47) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL22453463 0.81 CRHBP (0.39) MEN1KMT2AALDH1A1TDP1CRHBP
SCHEMBL22453774 0.80 LMNA (0.47) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL22452486 0.77 HIF1A (0.50) MEN1KMT2ALMNAKDM4EALDH1A1

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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