SCHEMBL22144656

SCHEMBL22144656

O=C1CC(Cc2cccnc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
GLA P06280 1/20 0.48
DDB1 Q16531 2/20 0.48
CRBN Q96SW2 2/20 0.48
LMNA P02545 1/20 0.46
CHRNA7 P36544 3/20 0.42
FFAR1 O14842 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CTSD P07339 1/20 0.40
HTT P42858 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7268381 0.80 CRBN (0.70) GLADDB1CRBNFFAR1HTT
SCHEMBL27429818 0.77 GSK3B (0.49) GSK3BDDB1CRBNCHRNA7CHRNB2
Bicarbonate SCHEMBL29264497 0.76 CRBN (0.64) GLADDB1CRBNFFAR1HTT
SCHEMBL8931319 0.75 GSK3B (0.47) GSK3BDDB1CRBNCHRNA7CHRNB2
SCHEMBL30526504 0.73 FFAR1 (0.56) GSK3BGLADDB1CRBNFFAR1
SCHEMBL29049422 0.73 FFAR1 (0.56) GSK3BGLADDB1CRBNFFAR1
SCHEMBL31139945 0.71 GLA (0.60) GSK3BGLADDB1CRBNFFAR1
SCHEMBL11627271 0.71 GLA (0.64) GLADDB1CRBNFFAR1HTT
SCHEMBL11270285 0.71 GLA (0.60) GSK3BGLADDB1CRBNLMNA
SCHEMBL5767796 0.71 GLA (0.60) GLADDB1CRBNLMNAFFAR1

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-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed