SCHEMBL7076265

SCHEMBL7076265

O=C(NO)c1ccccc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
MMP2 P08253 7/20 0.55
MMP13 P45452 7/20 0.55
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ADRB1 P08588 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CXCR3 P49682 1/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL7077423 0.89 KDM4E (0.58) MAPTALDH1A1KDM4EADRB1CXCR3
SCHEMBL7077533 0.87 KDM4E (0.60) MAPTALDH1A1KDM4EMMP2MMP13
SCHEMBL7079810 0.83 ALDH1A1 (0.59) MAPTALDH1A1KDM4EMMP2MMP13
SCHEMBL1471022 0.77 MAPT (0.52) MAPTALDH1A1KDM4EADRB1SMN1; SMN2
SCHEMBL3613226 0.75 KDM4E (0.74) MAPTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL12150842 0.74 MMP2 (0.69) MAPTALDH1A1MMP2MMP13HDAC3
SCHEMBL5245721 0.74 KMT2A (0.59) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL7076239 0.73 MMP2 (0.60) MAPTMMP2MMP13HDAC3HDAC4
SCHEMBL6436200 0.72 KMT2A (0.51) MAPTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL1471287 0.71 KDM4E (0.52) MAPTALDH1A1KDM4ESMN1; SMN2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US claimed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed