SCHEMBL22197853

SCHEMBL22197853

CC(C)c1ccc(C(=O)NC2C(C)(C)CC2(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
DEGS1 O15121 1/20 0.43
LMNA P02545 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ESRRG P62508 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL26832626 0.82 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL24031696 0.82 EZH2 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL24233212 0.81 OGG1 (0.46) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL22047564 0.80 DDB1 (0.45) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL24031980 0.79 NPC1 (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL25059051 0.79 CHRNA7 (0.39) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL24193083 0.79 ACACB (0.40) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL22047308 0.78 CHRNA7 (0.38) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL105169 0.77 RAB9A (0.57) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL8738667 0.75 EZH2 (0.67) MEN1KMT2A

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-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed