SCHEMBL22453063

SCHEMBL22453063

O=C(Nc1ccc(C2CCCCC2)cc1Cl)c1cccc(Nc2ccccc2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.60
SIRT2 Q8IXJ6 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 1/20 0.48
DHODH Q02127 5/20 0.48
SUCNR1 Q9BXA5 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 1/20 0.44
TTR P02766 1/20 0.43
POLB P06746 1/20 0.43
PTGES O14684 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL22452646 0.90 SERPINE1 (0.50) SERPINE1SIRT2MEN1KMT2APKM
SCHEMBL22453382 0.88 SERPINE1 (0.58) SERPINE1MEN1KMT2ADHODHALDH1A1
SCHEMBL22453347 0.88 SERPINE1 (0.58) SERPINE1MEN1KMT2ADHODHALDH1A1
SCHEMBL22453286 0.87 SERPINE1 (0.56) SERPINE1MEN1KMT2APKMDHODH
SCHEMBL22453284 0.87 SIRT2 (0.60) SERPINE1SIRT2MEN1KMT2APKM
SCHEMBL22452796 0.83 SERPINE1 (0.48) SERPINE1MEN1KMT2AALDH1A1NPC1
SCHEMBL22452642 0.81 SERPINE1 (0.47) SERPINE1MEN1KMT2ADHODHNPC1
SCHEMBL22452640 0.79 SERPINE1 (0.49) SERPINE1MEN1KMT2APKMALDH1A1
SCHEMBL22453374 0.79 SMN1; SMN2 (0.66) SERPINE1MEN1KMT2AALDH1A1NPC1
SCHEMBL22453062 0.77 DHODH (0.52) SERPINE1MEN1KMT2APKMDHODH

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