SCHEMBL5716705

SCHEMBL5716705

CC(C)(C)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1.CCOC(=O)/N=N/C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 1/20 0.56
MMP2 P08253 3/20 0.53
MMP9 P14780 3/20 0.53
MMP8 P22894 3/20 0.53
MMP13 P45452 3/20 0.53
MCL1 Q07820 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CETP P11597 1/20 0.51
CEPT1 Q9Y6K0 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5716710 1.00 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL5378778 0.86 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL12393102 0.77 MMP2 (0.64) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL2245219 0.76 MMP2 (0.85) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL7908000 0.75 RAB9A (0.84) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL25989653 0.75 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL3202508 0.75 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL16894054 0.74 RAB9A (0.69) RAB9ANPC1MAPTALDH1A1MMP2
SCHEMBL7695426 0.73 GAA (0.49) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL27188288 0.73 PPARG (0.78) MAPTRXFP1PPARGCYP2C8NR1I2

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-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 EP disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 WO disclosed