SCHEMBL27499445

SCHEMBL27499445

CC(C)(C)NC(=O)Oc1cc(N2CCC(O)CC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CSF1R P07333 1/20 0.39
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
CTPS1 P17812 1/20 0.36
GPR174 Q9BXC1 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27485066 0.87 SMN1; SMN2 (0.34) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL27500661 0.87 MAPT (0.43) MAPTALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL27485058 0.84 SMN1; SMN2 (0.35) MAPTALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL7139645 0.80 MAPT (0.43) MAPTALDH1A1MEN1KMT2ACSF1R
SCHEMBL27486385 0.78 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27500364 0.77 ALDH1A1 (0.37) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL27499444 0.76 MAPT (0.42) MAPTALDH1A1MEN1KMT2ACSF1R
SCHEMBL27499149 0.76 LMNA (0.38) MAPTALDH1A1NPSR1POLBCYP1A2
SCHEMBL7141821 0.76 MAPT (0.39) MAPTALDH1A1MEN1KMT2ACSF1R
SCHEMBL27498855 0.75 MEN1 (0.34) MAPTALDH1A1MEN1KMT2ANPSR1

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
CN-1195522-C Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
CN-1379765-A Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed