SCHEMBL29132477

SCHEMBL29132477

[N-]=[N+]=NC(=O)CC1CCc2cc(OCCc3ccccc3)c(Br)c(F)c2C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.34
PTGIR P43119 2/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
PREP P48147 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL25336821 0.91 PTGIR (0.37) S1PR5PTGIRHTR2C
SCHEMBL29132497 0.87 S1PR5 (0.38) S1PR5PTGIRCYP11B1CYP11B2HTR2C
SCHEMBL25338586 0.78 ITGB3 (0.43) S1PR5PTGIRHTR2C
SCHEMBL30683967 0.73 PTGIR (0.38) PTGIRHTR2C
SCHEMBL29132508 0.73 PTGIR (0.38) PTGIRHTR2C
SCHEMBL25338513 0.72 BRD4 (0.37) S1PR5HTR2C
SCHEMBL25339339 0.68 MEN1 (0.35)
SCHEMBL29626301 0.68 ACACB (0.41)
SCHEMBL22412174 0.68 CA1 (0.44)
Hydrochloric Acid SCHEMBL22412455 0.67 KDM1A (0.43) HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829555-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-09-29 CN disclosed