SCHEMBL14944100

SCHEMBL14944100

Cc1cc(NC2CCN(C3CCC(C)CC3)CC2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 6/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
BCL6 P41182 1/20 0.37
BCOR Q6W2J9 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL601758 0.88 MAPT (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL603695 0.88 MAPT (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL601759 0.88 MAPT (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL602611 0.86 MAPT (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL602612 0.86 MAPT (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL600543 0.85 MAPT (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL14944078 0.85 MAPT (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL600544 0.85 MAPT (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL600839 0.85 MAPT (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL14414146 0.83 MAPK1 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1

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
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed