SCHEMBL7304760

SCHEMBL7304760

CC(C)C(NC(=O)N(C)Cc1cccnc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
NAMPT P43490 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
CLK1 P49759 1/20 0.41

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
SCHEMBL7304768 1.00 MAPT (0.47) MAPTNAMPTLMNAPOLBALDH1A1
SCHEMBL6447461 0.85 MAPT (0.48) MAPTNAMPTPOLBALDH1A1ATM
SCHEMBL6447457 0.85 MAPT (0.48) MAPTNAMPTPOLBALDH1A1ATM
SCHEMBL4680503 0.82 CA2 (0.51) MAPTLMNAPOLBALDH1A1HTT
SCHEMBL4680500 0.82 CA2 (0.51) MAPTLMNAPOLBALDH1A1HTT
SCHEMBL7311229 0.81 LMNA (0.53) NAMPTLMNAALDH1A1PKMHPGD
SCHEMBL7311226 0.81 LMNA (0.53) NAMPTLMNAALDH1A1PKMHPGD
SCHEMBL7303865 0.79 GAA (0.41) MAPTLMNAALDH1A1PKMHTT
SCHEMBL7303870 0.79 GAA (0.41) MAPTLMNAALDH1A1PKMHTT
SCHEMBL7301102 0.78 ALDH1A1 (0.39) MAPTLMNAALDH1A1HTTSMN1; SMN2

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
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed