SCHEMBL21395089

SCHEMBL21395089

Cn1cc(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAOB P27338 5/20 0.50
MAOA P21397 3/20 0.50
GCK P35557 3/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
ALKBH1 Q13686 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL21394948 0.89 MEN1 (0.54) MEN1KMT2AMAOBMAOAGCK
SCHEMBL29358548 0.89 MEN1 (0.54) MEN1KMT2AMAOBMAOAGCK
SCHEMBL21394825 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29354520 0.85 MEN1 (0.53) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL29356860 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21394759 0.85 MEN1 (0.53) MEN1KMT2AGCKALDH1A1NPC1
SCHEMBL21394841 0.84 MEN1 (0.48) MEN1KMT2AMAOBMAOARXRA
SCHEMBL29357318 0.84 MEN1 (0.48) MEN1KMT2AMAOBMAOARXRA
SCHEMBL22479582 0.81 MEN1 (0.46) MEN1KMT2AMAOBMAOAGCK
SCHEMBL21395181 0.80 GCK (0.54) MEN1KMT2AGCKALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed