SCHEMBL6944740

SCHEMBL6944740

CCC[C@@H](C(=O)NN)c1ccc(C)cc1C(C/C=C/c1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 5/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GALR2 O43603 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TBXAS1 P24557 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6942707 0.90 CTSC (0.35) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6946167 0.80 NAMPT (0.35) CHRNB2CHRNA4RAB9ANAMPT
SCHEMBL7812198 0.74 CTSC (0.33)
SCHEMBL6984922 0.74 CTSC (0.33)
SCHEMBL6940308 0.74 MMP1 (0.41) RAB9AKMT2ASMN1; SMN2
SCHEMBL6946939 0.74 MAOA (0.39) LMNAMAPT
SCHEMBL7139769 0.73 ANXA2 (0.38) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6943008 0.69 NAMPT (0.34) CHRNB2CHRNA4NAMPTHDAC3NCOR2
SCHEMBL6942211 0.68 NAMPT (0.35) CHRNB2CHRNA4NAMPTTBXAS1HDAC3
SCHEMBL6943288 0.68 TBXAS1 (0.42) CHRNB2CHRNA4RAB9ALMNAHPGD

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed