SCHEMBL29013129

SCHEMBL29013129

Brc1cccc(-c2cccnc2OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
MAOB P27338 3/20 0.51
SQOR Q9Y6N5 1/20 0.42
PTGER1 P34995 3/20 0.42
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
CCR5 P51681 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL28917593 0.84 HTT (0.47) MAOBSQORRORCALDH1A1HTT
SCHEMBL24873214 0.81 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3MAOB
SCHEMBL30112435 0.81 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3MAOB
SCHEMBL29013156 0.80 FEN1 (0.45) RORCLTA4HMAPK14
SCHEMBL25935014 0.80 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3MAOB
SCHEMBL859892 0.80 RORC (0.39) GABRG2GABRB3GABRA5GABRA3MAOB
SCHEMBL1386543 0.80 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3MAOB
SCHEMBL4705 0.78 LOXL2 (0.47) GABRG2GABRB3GABRA5GABRA3
SCHEMBL28899812 0.77 KDM1A (0.43) MAOBSQORPTGER1RORCALDH1A1
SCHEMBL29021274 0.75 APP (0.47) SQORRORCLTA4HMAPK14PDE5A

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
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed