SCHEMBL30002434

SCHEMBL30002434

COc1cc(F)c(N2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)n1ccc2c(F)cccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.49
FABP4 P15090 4/20 0.47
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
NR1H3 Q13133 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL28959478 1.00 HTR6 (0.49) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL30002550 0.91 HTR6 (0.43) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL28892345 0.88 MEN1 (0.40) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL28892365 0.84 HTR6 (0.48) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL28892442 0.84 FABP4 (0.43) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL30002599 0.83 HTR6 (0.47) HTR6FABP4SMN1; SMN2TSHRHSD17B10
SCHEMBL30002627 0.82 HTR6 (0.46) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL30002738 0.82 HTR6 (0.46) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL28892335 0.82 HTR6 (0.46) HTR6FABP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL30002435 0.80 HTR6 (0.53) HTR6FABP4POLB

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
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed