SCHEMBL30485702

SCHEMBL30485702

CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
TDO2 P48775 2/20 0.57
KCNH2 Q12809 1/20 0.44
BACE1 P56817 3/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
KIT P10721 2/20 0.41
NR1H2 P55055 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
NAMPT P43490 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ACACB O00763 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL25366812 1.00 IDO1 (0.57) IDO1TDO2KCNH2BACE1CKS1B
SCHEMBL20580826 0.86 IDO1 (0.46) IDO1TDO2CKS1BSKP1SKP2
SCHEMBL17738820 0.84 TDO2 (0.56) IDO1TDO2ALDH1A1MAPT
SCHEMBL31073939 0.83 TDO2 (0.54) IDO1TDO2
SCHEMBL3969186 0.82 CYP11B2 (0.47) IDO1TDO2CKS1BSKP1SKP2
SCHEMBL30485725 0.81 TDO2 (0.53) IDO1TDO2ALDH1A1LMNAMAPT
SCHEMBL3673763 0.81 TRPV1 (0.53) BACE1CKS1BSKP1SKP2KIT
SCHEMBL25365686 0.81 TDO2 (0.53) IDO1TDO2ALDH1A1LMNAMAPT
SCHEMBL29182786 0.81 BACE1 (0.46) IDO1TDO2KCNH2BACE1CKS1B
SCHEMBL25365607 0.78 TDO2 (0.58) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479387-A1 INHIBITORS OF PARG ARase Therapeutics Inc. (US) 2024-12-25 EP disclosed
WO-2024173234-A1 INHIBITORS OF PARG ARASE THERAPEUTICS INC. (US) 2024-08-22 WO disclosed
WO-2023154913-A1 INHIBITORS OF PARG ARASE THERAPEUTICS INC. (US) 2023-08-17 WO disclosed