SCHEMBL8015657

SCHEMBL8015657

CCc1ccccc1N.CCc1ccccc1NC=C1C(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)N=C1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PKM P14618 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8015654 1.00 KAT8 (0.41) KAT8CA1CA2CA9PTGS2
SCHEMBL6947262 0.95 KAT8 (0.42) KAT8CA1CA2CA9PTGS2
SCHEMBL6947265 0.95 KAT8 (0.42) KAT8CA1CA2CA9PTGS2
SCHEMBL8427562 0.86 KAT8 (0.41) KAT8CA1CA2CA9PTGS2
SCHEMBL8427563 0.86 KAT8 (0.41) KAT8CA1CA2CA9PTGS2
SCHEMBL8424072 0.86 KMT2A (0.43) KAT8CA1CA2CA9PTGS2
SCHEMBL8424070 0.86 KMT2A (0.43) KAT8CA1CA2CA9PTGS2
SCHEMBL8428064 0.85 PTGS2 (0.45) KAT8CA1CA2CA9PTGS2
SCHEMBL8428063 0.85 PTGS2 (0.45) KAT8CA1CA2CA9PTGS2
SCHEMBL8427578 0.85 KDM4E (0.38) KAT8CA1CA2CA9PTGS2

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
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed