SCHEMBL29957068

SCHEMBL29957068

O=Cc1cccc(-c2cccc(C(=O)NC3CC3)c2)c1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.61
BRD4 O60885 2/20 0.48
CREBBP Q92793 1/20 0.48
SMYD3 Q9H7B4 3/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 2/20 0.44
MAP4K4 O95819 1/20 0.44
GRM5 P41594 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
SCHEMBL29954336 0.82 ERN1 (0.48) ERN1BRD4CREBBP
SCHEMBL2556740 0.81 ERN1 (0.61) ERN1NPC1RAB9AMEN1KMT2A
SCHEMBL29955051 0.81 ERN1 (0.72) ERN1SMYD3NPC1RAB9AMEN1
SCHEMBL29951997 0.81 ERN1 (0.88) ERN1NPC1RAB9AMEN1KMT2A
SCHEMBL29953590 0.79 ERN1 (0.55) ERN1SMN1; SMN2
SCHEMBL2560703 0.77 ERN1 (0.62) ERN1
SCHEMBL27769316 0.76 KAT6A (0.55) BRD4CREBBPSMYD3NPC1RAB9A
SCHEMBL12767105 0.76 ERN1 (1.00) ERN1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10094380 0.73 BRD4 (0.52) BRD4CREBBPSMYD3NPC1RAB9A
SCHEMBL15730263 0.72 MAPK14 (0.56) BRD4CREBBPSMYD3NPC1RAB9A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed