SCHEMBL3846868

SCHEMBL3846868

O=[N+]([O-])c1ccccc1C=CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
SOS1 Q07889 1/20 0.50
MAOB P27338 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.47
BACE1 P56817 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2033896 0.87 ALDH1A1 (0.51) MAPTALDH1A1TSHRMAOBHPGD
SCHEMBL3560837 0.81 SMN1; SMN2 (0.53) MAPTALDH1A1SMN1; SMN2BACE1MEN1
SCHEMBL3560835 0.81 SMN1; SMN2 (0.53) MAPTALDH1A1SMN1; SMN2BACE1MEN1
SCHEMBL9978289 0.80 MAPT (0.69) MAPTALDH1A1SOS1MAOBSMN1; SMN2
SCHEMBL11049170 0.80 MAPT (0.69) MAPTALDH1A1SOS1MAOBSMN1; SMN2
SCHEMBL14935499 0.80 MAPT (0.69) MAPTALDH1A1SOS1MAOBSMN1; SMN2
SCHEMBL9113908 0.79 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3335582 0.79 ALDH1A1 (0.55) MAPTALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL6158455 0.79 ALDH1A1 (0.55) MAPTALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL10369182 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP2D6CYP2C19CYP3A4

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
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-20030129504-A1 Photosensitive resin compositon, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. 2003-07-10 US disclosed