SCHEMBL22119718

SCHEMBL22119718

COc1nc(N)ccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDK4 Q16654 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDE10A Q9Y233 2/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
SUV39H2 Q9H5I1 1/20 0.34

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
SCHEMBL20919267 0.85 PDK4 (0.53) PDK4PDE10A
SCHEMBL30086990 0.85 PDK4 (0.53) PDK4PDE10A
SCHEMBL20934822 0.81 SLC6A4 (0.43) QDPRALOX15
SCHEMBL16992066 0.79 PDE10A (0.46) ALDH1A1SMN1; SMN2PDK4PDE10ACCNT1
SCHEMBL22119654 0.78 QDPR (0.38) QDPRTDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL20934809 0.75 PDK4 (0.42) MAPTPDK4PDE10A
SCHEMBL4221297 0.75 QDPR (0.36) QDPRTDP1MAPTPDE10ACCNT1
SCHEMBL21045954 0.75 QDPR (0.42) QDPRCCNT1CDK9
SCHEMBL31180085 0.74 PDK4 (0.55) PDK4PDE10A
SCHEMBL31180279 0.74 PDK4 (0.55) PDK4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897631-A1 TARGETED PROTEIN DEGRADATION C4 Therapeutics, Inc. (US) 2021-10-27 EP disclosed
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed