SCHEMBL4746557

SCHEMBL4746557

Cc1ccc([N+](=O)[O-])c(NC2(C)CCN(C(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
KAT2B Q92831 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GRK6 P43250 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4746560 1.00 MAPT (0.41) MAPTCYP3A4TSHRKAT2BALDH1A1
SCHEMBL4749627 0.85 MAPT (0.47) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL3958147 0.84 HTT (0.44) MAPTCYP3A4ALDH1A1MEN1LMNA
SCHEMBL4746323 0.81 HDAC1 (0.40)
SCHEMBL28131741 0.77 MAPT (0.53) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL23236146 0.73 DPP4 (0.44) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL1271748 0.71 PDK1 (0.44) MAPTCYP3A4ALDH1A1MEN1LMNA
SCHEMBL4749634 0.70 GRK6 (0.42) MAPTCYP3A4TSHRKAT2BALDH1A1
SCHEMBL11909744 0.70 KAT2B (0.45) MAPTCYP3A4KAT2BALDH1A1MEN1
SCHEMBL11909741 0.70 KAT2B (0.45) MAPTCYP3A4KAT2BALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119718-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed