SCHEMBL7525588

SCHEMBL7525588

CNC(=O)C(N)c1cccc(C(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
PMP22 Q01453 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCL8 P10145 1/20 0.44

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
SCHEMBL11223070 0.89 MAPT (0.56) MEN1KMT2AMAPTALDH1A1PTGS1
SCHEMBL55801 0.83 MEN1 (0.54) ITGA1MEN1KMT2AMAPTALDH1A1
SCHEMBL7531909 0.83 MEN1 (0.57) ITGA1MEN1KMT2AMAPTALDH1A1
SCHEMBL57091 0.82 MEN1 (0.52) ITGA1MEN1KMT2AMAPTALDH1A1
SCHEMBL56645 0.81 MEN1 (0.48) ITGA1MEN1KMT2AMAPTALDH1A1
Water SCHEMBL57566 0.80 MEN1 (0.47) ITGA1MEN1KMT2AMAPTALDH1A1
SCHEMBL9126956 0.74 ATM (0.67) ITGA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11223031 0.73 CNR2 (0.43) MEN1KMT2AMAPTALDH1A1PTGS1
SCHEMBL29163798 0.73 PTGS2 (0.42) MEN1KMT2AMAPTALDH1A1PTGS1
SCHEMBL28384370 0.73 LMNA (0.54) ITGA1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716600-B1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LAB INC (US) 2002-04-03 EP claimed
EP-0716600-A1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LABORATORIES, INC. (US) 1996-06-19 EP claimed
WO-1995033457-A1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LABORATORIES, INC. (US) 1995-12-14 WO claimed
US-5475034-A Adminstering 3-benzoylphenylacetamide derivatives ALCON LABORATORIES, INC. (US) 1995-12-12 US claimed
EP-0716600-B1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LAB INC (US) 2002-04-03 EP disclosed
EP-0716600-A1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LABORATORIES, INC. (US) 1996-06-19 EP disclosed
WO-1995033457-A1 TOPICALLY ADMINISTRABLE COMPOSITIONS CONTAINING 3-BENZOYLPHENYLACETIC ACID DERIVATIVES FOR TREATMENT OF OPHTHALMIC INFLAMMATORY DISORDERS ALCON LABORATORIES, INC. (US) 1995-12-14 WO disclosed
US-5475034-A Adminstering 3-benzoylphenylacetamide derivatives ALCON LABORATORIES, INC. (US) 1995-12-12 US disclosed