SCHEMBL4635502

SCHEMBL4635502

Cc1ccc(S(=O)(=O)Nc2ccc(N3CC4C(C3)C4OC(N)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
RECQL P46063 2/20 0.55
USP2 O75604 1/20 0.54
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
GFER P55789 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
NPY5R Q15761 1/20 0.45
POLB P06746 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL4635298 0.82 ALDH1A1 (0.64) MAPTALDH1A1RECQLUSP2CRHBP
SCHEMBL4896586 0.81 ALDH1A1 (0.60) MAPTALDH1A1RECQLUSP2CRHBP
SCHEMBL4635251 0.71 CRHBP (0.71) MAPTALDH1A1CRHBPCRHR2NPC1
SCHEMBL2005010 0.70 CA12 (0.81) MAPTALDH1A1RECQLHPGDKMT2A
SCHEMBL6318007 0.70 HPGD (0.74) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL4573407 0.70 HPGD (0.74) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL17319245 0.68 CRHBP (0.77) MAPTALDH1A1CRHBPCRHR2NPC1
SCHEMBL15154944 0.68 CRHBP (0.77) MAPTALDH1A1CRHBPCRHR2NPC1
SCHEMBL28170795 0.66 MAPT (0.79) MAPTALDH1A1RECQLNPC1RAB9A
SCHEMBL7565259 0.66 CA1 (0.73) MAPTALDH1A1HPGDKMT2AGFER

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
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed