SCHEMBL24920745

SCHEMBL24920745

Cc1ccc(C2(c3ccc(OCc4ccnc(-c5ncco5)n4)cc3)COC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.31
LMNA P02545 1/20 0.31
PDE10A Q9Y233 1/20 0.31
FFAR1 O14842 5/20 0.31

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
SCHEMBL24920850 0.89 ALOX5AP (0.35) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL24920751 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL24920727 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL24920724 0.83 LMNA (0.35) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL24920749 0.83 NPC1 (0.36) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL24920723 0.83 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL24920736 0.83 NPC1 (0.34) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL24920732 0.82 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL24920722 0.82 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL24920739 0.82 NISCH (0.36) NPC1RAB9ASMN1; SMN2HPGDGAA

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed