SCHEMBL29537403

SCHEMBL29537403

O=C(O)c1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.65
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
MTOR P42345 1/20 0.54
HPGD P15428 3/20 0.54
C1S P09871 1/20 0.54
KMO O15229 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 2/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
UNG P13051 1/20 0.52

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
SCHEMBL5023 1.00 PARP1 (0.65) PARP1CA12CA1CA2CA6
Hydrochloric Acid SCHEMBL698593 0.98 PARP1 (0.63) PARP1CA12CA1CA2CA6
SCHEMBL11539652 0.98 PARP1 (0.63) PARP1CA12CA1CA2CA6
Ethane SCHEMBL17336854 0.96 PARP1 (0.61) PARP1CA12CA1CA2CA6
1,2-Dichloroethane SCHEMBL27913129 0.90 PARP1 (0.55) PARP1CA12CA1CA2CA6
Boric Acid SCHEMBL29232610 0.90 PARP1 (0.55) PARP1CA12CA1CA2CA6
SCHEMBL10344732 0.90 PARP1 (0.55) PARP1CA12CA1CA2CA6
Isophthalic Acid SCHEMBL28667980 0.88 CA12 (0.56) PARP1CA12CA1CA2CA6
Pyridine SCHEMBL28674978 0.88 PARP1 (0.53) PARP1CA12CA1CA2CA6
SCHEMBL30014390 0.87 KMO (0.68) PARP1CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704839-A2 IMIDAZOLE CONTAINING COMPOUNDS, DERIVATIVES THEREFORE, AND USES THEREOF ALPHERABIO LLC (US) 2026-03-11 EP disclosed
EP-4655282-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL DERIVATIVES COMPASS Pathfinder Limited (GB) 2025-12-03 EP disclosed
EP-4562016-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
EP-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 EP disclosed
WO-2025046078-A1 ENGINEERED BACTERIA FOR IMPROVING SOIL QUALITY CROBIO LTD (GB) 2025-03-06 WO disclosed
WO-2024263563-A1 METABOTROPIC GLUTAMATE SUBTYPE-2 AND -3 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-12-26 WO disclosed
EP-4479138-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF Accent Therapeutics, Inc. (US) 2024-12-25 EP disclosed
WO-2024226608-A2 IMIDAZOLE CONTAINING COMPOUNDS, DERIVATIVES THEREFORE, AND USES THEREOF AGLAEAPHARMA INC. (US) 2024-10-31 WO disclosed
WO-2024156732-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL DERIVATIVES COMPASS PATHFINDER LIMITED (GB) 2024-08-02 WO disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
CN-115627505-A Pulse cyanide-free gold electroplating solution and electroplating process thereof 深圳创智芯联科技股份有限公司 2023-01-20 CN disclosed
EP-4110785-A1 FUSED BICYCLIC COMPOUNDS USEFUL FOR MODULATING NUCLEIC ACID SPLICING Remix Therapeutics Inc. (US) 2023-01-04 EP disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed