SCHEMBL28055985

SCHEMBL28055985

CC(C)Oc1ccc(C=O)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.52
ERN1 O75460 2/20 0.48
PRKDC P78527 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP10 Q53GL7 1/20 0.41
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL7015729 0.86 ALDH1A3 (0.52) ALDH1A3ERN1PRKDCALDH1A1TRIM24
SCHEMBL24530453 0.83 ALDH1A3 (0.57) ALDH1A3ERN1ALDH1A1TRIM24TYR
SCHEMBL31136886 0.82 DRD1 (0.47) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL437463 0.81 ALDH1A1 (0.66) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL3633730 0.81 ALDH1A1 (0.71) ALDH1A3ERN1ALDH1A1TRIM24TYR
SCHEMBL12540995 0.80 ALDH1A1 (0.55) ALDH1A3ERN1ALDH1A1TRIM24TYR
SCHEMBL3725560 0.80 ALDH1A3 (0.53) ALDH1A3ERN1ALDH1A1TRIM24TYR
Ethane SCHEMBL28205235 0.79 ALDH1A1 (0.63) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL29558007 0.79 PRKDC (0.48) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL24313342 0.79 PRKDC (0.48) ERN1PRKDCALDH1A1TRIM24TYR

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-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 CN disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed