SCHEMBL15099337

SCHEMBL15099337

Cn1c(-c2ccc(F)c(Cl)c2)c(C(C[N+](=O)[O-])c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 16/20 0.45
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NSD2 O96028 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 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
SCHEMBL17548633 0.84 MEN1 (0.56) MEN1NPC1POLBKMT2ACNR1
SCHEMBL15099320 0.76 CNR1 (0.72) CNR1CNR2
SCHEMBL17548553 0.68 CNR1 (0.57) MEN1NPC1POLBKMT2ACNR1
SCHEMBL16362225 0.66 CNR1 (0.69) CNR1CNR2
SCHEMBL20408186 0.66 ALDH1A1 (0.48) NPC1LMNAMAPTALDH1A1HPGD
SCHEMBL15094476 0.64 CNR1 (0.91) CNR1CNR2
SCHEMBL20394666 0.64 CNR1 (0.95) CNR1CNR2
SCHEMBL18288173 0.64 MEN1 (1.00) MEN1NPC1POLBKMT2ACNR1
SCHEMBL15094804 0.62 CNR1 (0.79) CNR1CNR2
SCHEMBL9658006 0.62 ALDH1A1 (0.51) NPC1KMT2ALMNAMAPTALDH1A1

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-2013103967-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2013-07-11 WO disclosed