SCHEMBL29010753

SCHEMBL29010753

COC(=O)c1cc(OC(F)C(F)F)c2nc(Br)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TNF P01375 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MCL1 Q07820 2/20 0.41
NOD1 Q9Y239 2/20 0.41
NOD2 Q9HC29 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NR2F2 P24468 1/20 0.40
KLF5 Q13887 1/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL20043415 0.90 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL29010729 0.87 CYP2C9 (0.41) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL21062982 0.86 NPC1 (0.43) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL20031462 0.83 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL19899880 0.80 NOTUM (0.42) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL20833630 0.79 NPC1 (0.43) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL19900083 0.79 KMT2A (0.42) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL2275524 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL29163112 0.78 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL30807069 0.78 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AHTTALDH1A1

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-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN disclosed
CN-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed