SCHEMBL4734930

SCHEMBL4734930

CCN(CC)c1cccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.43
CNR2 P34972 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 4/20 0.39
CNR1 P21554 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CYP3A4 P08684 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
SCHEMBL4735258 0.81 ALDH1A1 (0.52) ALDH1A1LMNACNR2KMT2ACYP1A2
SCHEMBL4736548 0.76 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL8190064 0.75 CYP3A4 (0.42) LMNACNR2KMT2ACNR1POLB
SCHEMBL3818747 0.75 CNR2 (0.47) ALDH1A1LMNACNR2RAB9ACNR1
SCHEMBL4739106 0.74 NPC1 (0.41) CNR2KMT2ARAB9ACNR1POLB
SCHEMBL8184199 0.74 MAPK14 (0.44) CNR2CNR1MAPTCYP3A4
SCHEMBL4738668 0.74 CNR2 (0.40) CNR2CNR1MAPTCASP3SENP8
SCHEMBL4733577 0.73 TLR7 (0.40) ALDH1A1LMNACNR2CNR1MAPT
SCHEMBL3824123 0.73 CNR1 (0.41) ALDH1A1LMNACNR2CNR1POLB
SCHEMBL4736765 0.72 CYP19A1 (0.43) CNR2CYP1A2HPGDCNR1MAPT

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed