SCHEMBL29628640

SCHEMBL29628640

Cc1ccc(F)c(C=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32
ACHE P22303 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.31
AR P10275 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12384956 1.00 ERN1 (0.38) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL19682346 0.86 CYP2C9 (0.40) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL29954742 0.86 CYP2C9 (0.40) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL1197434 0.82 CYP2C9 (0.45) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL1311843 0.80 ALDH1A1 (0.39) ERN1CYP3A4ALDH1A1TSHRTDP2
SCHEMBL19682803 0.78 ALDH1A1 (0.41) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL26110125 0.78 ERN1 (0.43) ERN1CYP2C9CYP3A4CYP2C19AR
SCHEMBL15748351 0.78 ERN1 (0.38) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL10290089 0.78 CYP3A4 (0.36) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL828218 0.78 ALDH1A1 (0.37) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587437-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-07-23 EP disclosed
CN-118488945-A Sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-13 CN disclosed
CN-118434417-A Cyclic sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-02 CN disclosed
CN-111386260-B Sulfonamide compounds and uses thereof 大鹏药品工业株式会社 2024-04-30 CN disclosed
WO-2024059563-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2024-03-21 WO disclosed
CN-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed