SCHEMBL30286653

SCHEMBL30286653

Nc1cc(F)c(OCC2CCCCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.45
▸ CDK2 P24941 1/20 0.44
▸ SCN9A Q15858 8/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ SCN5A Q14524 2/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL20354811 0.92 HTR2C (0.41) PARP10SCN9AHTR2AHTR2CHTR2B
SCHEMBL23914594 0.83 HTR2C (0.42) PARP10CDK2HTR2AHTR2CHTR2B
SCHEMBL24180204 0.80 HTR2C (0.42) PARP10CDK2SCN9AHTR2AHTR2C
SCHEMBL30780907 0.77 SCN9A (0.46) SCN9ASCN5A
SCHEMBL22069559 0.77 PARP10 (0.45) PARP10CDK2MCHR1HTR2AHTR2C
SCHEMBL27267930 0.77 SCN9A (0.46) SCN9ASCN5A
SCHEMBL12261484 0.77 MCHR1 (0.49) PARP10CDK2MCHR1HTR2AHTR2C
SCHEMBL24180164 0.75 PARP10 (0.43) PARP10CDK2SCN9AMCHR1SCN5A
SCHEMBL30286630 0.75 CYP19A1 (0.48) PARP10CDK2SCN9ASCN5AHTR2A
SCHEMBL9873759 0.74 FFAR4 (0.44) SCN9AHTR2AHTR2CHTR2B

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
CN-116283712-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-06-23 — — CN disclosed
CN-116036078-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-05-02 — — CN disclosed
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 — — CN disclosed
Send feedback