SCHEMBL22453641

SCHEMBL22453641

O=C(O)c1cccnc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47
SERPINE1 P05121 2/20 0.46
PKM P14618 2/20 0.42
HIF1A Q16665 2/20 0.42
MAPK1 P28482 1/20 0.42
GMNN O75496 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL22453640 0.95 DHODH (0.57) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453002 0.94 DHODH (0.50) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453315 0.93 DHODH (0.47) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453313 0.92 DHODH (0.48) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452804 0.91 SERPINE1 (0.57) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453117 0.89 CNR2 (0.53) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453073 0.89 DHODH (0.47) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452529 0.89 DHODH (0.41) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453269 0.87 SERPINE1 (0.42) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452486 0.86 HIF1A (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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