SCHEMBL6508901

SCHEMBL6508901

O=C(O)c1cc(Br)c([N+](=O)[O-])s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.38
GPR35 Q9HC97 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTPN2 P17706 2/20 0.35
GSK3B P49841 2/20 0.34
BCL2L1 Q07817 1/20 0.34
CASP6 P55212 1/20 0.34
TP53 P04637 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
SCHEMBL5840709 0.83 PTPN2 (0.39) ALDH1A1KDM4EMEN1KMT2APTPN2
SCHEMBL6513961 0.80 USP2 (0.54) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL15562641 0.78 DAO (0.55) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL29016889 0.78 DAO (0.55) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL6511511 0.76 POLB (0.54) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL6511520 0.75 POLB (0.57) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL11458447 0.74 CA1 (0.42) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL6510754 0.74 ACKR3 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL15613249 0.74 ALDH1A1 (0.35) ALDH1A1MAPTGSK3B
SCHEMBL6735845 0.74 ALDH1A1 (0.46) DAOGPR35ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974037-A Benzobicyclo compound and preparation method and application thereof 广州市联瑞制药有限公司 2024-11-15 CN disclosed
WO-2023169436-A1 BENZO BICYCLIC COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 广州市联瑞制药有限公司 2023-09-14 WO disclosed
WO-2005082899-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2005-09-09 WO disclosed
US-4093622-A Pyridine esters of cyclopropane-carboxylic acid ZOECON CORPORATION (US) 1978-06-06 US disclosed