SCHEMBL30152881

SCHEMBL30152881

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PKM P14618 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BACE1 P56817 5/20 0.42
▸ BACE2 Q9Y5Z0 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ MGAM O43451 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
SCHEMBL24818670 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30152726 0.86 BRD4 (0.40) NPC1RAB9ASMN1; SMN2KDM4EBACE1
SCHEMBL30152678 0.86 GUSB (0.36) NPC1RAB9ASMN1; SMN2KDM4EBACE1
SCHEMBL24818859 0.86 GUSB (0.36) NPC1RAB9ASMN1; SMN2KDM4EBACE1
SCHEMBL24818813 0.86 GUSB (0.36) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL24818738 0.86 BRD4 (0.40) NPC1RAB9ASMN1; SMN2KDM4EBACE1
SCHEMBL30152840 0.84 CBLB (0.39) BACE1BACE2GAAMGAMSI
SCHEMBL24821801 0.84 CBLB (0.39) BACE1BACE2GAAMGAMSI
SCHEMBL24821830 0.83 BRD4 (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30152990 0.83 MMP2 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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