SCHEMBL2904035

SCHEMBL2904035

O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
ALDH1A1 P00352 5/20 0.65
POLB P06746 3/20 0.64
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
SIGMAR1 Q99720 2/20 0.53
MAPT P10636 3/20 0.52
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL10300785 0.89 KMT2A (0.75) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL13636224 0.86 KMT2A (0.83) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL4384009 0.86 KMT2A (0.83) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2908578 0.84 F2R (0.66) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2903289 0.81 KMT2A (0.71) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2908715 0.81 KMT2A (0.70) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2908215 0.81 F2R (0.74) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2910362 0.81 KMT2A (0.72) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2902111 0.78 ALDH1A1 (0.69) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL2906384 0.78 KMT2A (0.72) KMT2AALDH1A1POLBLMNAMEN1

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-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP disclosed