SCHEMBL31563752

SCHEMBL31563752

CCCSc1c(C(F)(F)F)ccnc1OCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 2/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 1/20 0.33
CDK1 P06493 1/20 0.33
APLNR P35414 1/20 0.32
MAP4K1 Q92918 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL22165804 1.00 HPGD (0.37) HPGDSMN1; SMN2ARKDM4EALDH1A1
SCHEMBL31121358 0.88 AR (0.37) ARKDM4ELRRK2APLNRTRPV1
SCHEMBL7865873 0.88 AR (0.37) ARKDM4ELRRK2APLNRTRPV1
SCHEMBL31563751 0.79 AR (0.38) ARKDM4EAPLNRKMT2AHTR2C
SCHEMBL22165527 0.79 AR (0.38) ARKDM4EAPLNRKMT2AHTR2C
SCHEMBL2387153 0.69 SLC22A12 (0.46) ALDH1A1
SCHEMBL30115270 0.67 SMN1; SMN2 (0.39) HPGDSMN1; SMN2KDM4ELRRK2CDK1
SCHEMBL6681359 0.67 AR (0.41) SMN1; SMN2ARKDM4EAPLNR
SCHEMBL6679512 0.67 ATM (0.39) ARKDM4EMAPK1TDP1L3MBTL1
SCHEMBL13763813 0.67 KCNK3 (0.40) HPGDSMN1; SMN2KDM4EMAPK1LRRK2

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-113227052-B Preparation of sulfonamide herbicide process intermediates 科迪华农业科技有限责任公司 2025-05-06 CN disclosed