SCHEMBL30949600

SCHEMBL30949600

O=C(O)c1c(Br)ccc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
PARP1 P09874 2/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ENPP2 Q13822 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RHEB Q15382 2/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CYP2A6 P11509 1/20 0.33
NR4A2 P43354 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL13987128 0.80 NR4A2 (0.47) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6422575 0.79 F7 (0.43) AHRPARP1KDM4EALDH1A1HPGD
SCHEMBL29783527 0.78 NOTUM (0.41) AHRPARP1KDM4EALDH1A1HPGD
SCHEMBL21819005 0.78 PARP1 (0.40) AHRPARP1KDM4EALDH1A1HPGD
SCHEMBL27222251 0.78 NOTUM (0.41) AHRPARP1KDM4EALDH1A1HPGD
SCHEMBL30949552 0.76 DHPS (0.39) AHRPARP1HDAC1HDAC6MTNR1A
SCHEMBL30474626 0.72 CA12 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10415958 0.72 CA12 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30949503 0.72 CNR2 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6923181 0.71 NOS1 (0.49) ALDH1A1HSD17B10

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-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 EP disclosed
WO-2024153225-A1 NOVEL ALPK1 INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2024-07-25 WO disclosed