SCHEMBL6945990

SCHEMBL6945990

NNc1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.71
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
ALDH1A1 P00352 4/20 0.63
POLB P06746 2/20 0.61
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL6951550 0.84 GAA (0.69) MAPTALDH1A1POLBGAAMEN1
SCHEMBL6944909 0.83 ATM (0.63) USP2ALDH1A1POLBMEN1KMT2A
SCHEMBL4655481 0.82 USP2 (0.71) USP2KDM4EMAPTALDH1A1POLB
SCHEMBL4655484 0.82 USP2 (0.71) USP2KDM4EMAPTALDH1A1GAA
SCHEMBL165282 0.80 KMT2A (0.69) USP2KDM4EMAPTALDH1A1GAA
SCHEMBL28285201 0.80 ALDH1A1 (0.68) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12455096 0.80 USP2 (0.68) USP2KDM4EMAPTALDH1A1POLB
SCHEMBL417862 0.80 USP2 (0.68) USP2KDM4EMAPTALDH1A1POLB
SCHEMBL14283239 0.80 ALDH1A1 (0.70) USP2KDM4EMAPTALDH1A1POLB
SCHEMBL5432715 0.80 MAPT (1.00) KDM4EMAPTALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed
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
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed