SCHEMBL24920693

SCHEMBL24920693

CC(C)(c1ccc(OCc2ccnc(-c3nnco3)n2)cc1)c1ccc(OC2CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALOX5AP P20292 1/20 0.35
AR P10275 1/20 0.33
ACACB O00763 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.31
TLR8 Q9NR97 1/20 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
SCHEMBL24922122 0.85 RAB9A (0.40) RAB9ANPC1ALOX5APARMAPT
SCHEMBL24922191 0.85 RAB9A (0.50) RAB9ANPC1ALOX5APARMAPT
SCHEMBL24922109 0.78 ACACB (0.37) ARACACBMAPTTP53HPGD
SCHEMBL24921617 0.76 ACACB (0.36) ARACACBMAPTTP53HPGD
SCHEMBL24922268 0.75 ACACB (0.44) RAB9ANPC1ARACACBMAPT
SCHEMBL24921707 0.73 ALDH1A1 (0.48) RAB9ANPC1ALOX5APMAPTMEN1
SCHEMBL27234298 0.73 MAPT (0.36) ALOX5APARMAPTTP53HPGD
SCHEMBL24921980 0.73 MAPT (0.36) ALOX5APARMAPTTP53HPGD
SCHEMBL24921633 0.72 AR (0.38) RAB9ANPC1ARMAPTTP53
SCHEMBL24922739 0.72 RAB9A (0.47) RAB9ANPC1ALOX5APTP53HPGD

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