SCHEMBL29545673

SCHEMBL29545673

OCc1ccc(Br)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KIF11 P52732 2/20 0.39
KDM1A O60341 3/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 1/20 0.37
HTT P42858 1/20 0.36
PTPRB P23467 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL509144 1.00 CYP4F2 (0.42) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL7871724 0.84 CYP11B1 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL7694625 0.84 RARB (0.44) CYP4F2CYP4A11HTTTSHR
SCHEMBL2302020 0.83 KDM4E (0.47) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL29410056 0.83 KDM4E (0.47) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL17471653 0.83 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL604198 0.82 CYP1A2 (0.51) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL16922694 0.81 KDM1A (0.39) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL17295280 0.79 CA2 (0.42) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL12533678 0.79 KDM1A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1

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
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
EP-4228757-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2023-08-23 EP disclosed
WO-2022084298-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2022-04-28 WO disclosed