SCHEMBL6944909

SCHEMBL6944909

CN1CCN(S(=O)(=O)c2ccc(NN)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
TSHR P16473 3/20 0.62
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
USP2 O75604 1/20 0.61
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.55
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL6945990 0.83 USP2 (0.71) POLBUSP2KMT2AMEN1HTT
SCHEMBL28871030 0.81 POLB (0.59) TSHRPOLBSMN1; SMN2USP2KMT2A
SCHEMBL6951550 0.81 GAA (0.69) POLBSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL160108 0.81 ATM (0.69) ATMTSHRPOLBSMN1; SMN2USP2
SCHEMBL4759272 0.80 KMT2A (0.78) TSHRUSP2KMT2AMEN1L3MBTL1
SCHEMBL12793305 0.79 POLB (0.71) ATMTSHRPOLBSMN1; SMN2USP2
SCHEMBL9386579 0.79 KMT2A (0.84) ATMTSHRPOLBSMN1; SMN2USP2
SCHEMBL7564728 0.79 KMT2A (0.84) ATMTSHRPOLBSMN1; SMN2USP2
SCHEMBL8200020 0.79 KMT2A (0.84) ATMTSHRPOLBSMN1; SMN2USP2
SCHEMBL1156725 0.77 ATM (0.69) ATMTSHRPOLBSMN1; SMN2USP2

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