SCHEMBL29626599

SCHEMBL29626599

CCCCOC(=O)Nc1cc(C(C)O)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 9/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
HPGD P15428 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CASP1 P29466 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
SPHK1 Q9NYA1 2/20 0.41
NFKB1 P19838 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL15348832 0.81 L3MBTL1 (0.51) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL28610054 0.81 L3MBTL1 (0.51) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL18191549 0.79 HPGD (0.60) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL30848604 0.79 L3MBTL1 (0.49) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL3717251 0.79 L3MBTL1 (0.49) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL4968237 0.79 L3MBTL1 (0.49) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL12230264 0.78 PIK3C3 (0.47) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL29626665 0.78 CBLB (0.61)
SCHEMBL9292806 0.77 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL21695722 0.77 MAPK1 (0.44) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1

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
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed