SCHEMBL9761405

SCHEMBL9761405

O=[N+]([O-])c1n[nH]cc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
ALDH1A1 P00352 7/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTSB P07858 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27968266 0.81 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL9762450 0.76 CYP1A2 (0.56) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL34468741 0.71 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL2252193 0.71 CYP1A2 (0.61) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL2802536 0.70 POLB (0.44) MAPTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL3095395 0.70 MAPT (0.78) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL361410 0.70 POLB (0.57) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL12218095 0.69 MAPT (0.68) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL9761085 0.68 MAPT (0.40) MAPTALDH1A1CYP1A2CYP2C9NPSR1
SCHEMBL9059478 0.67 CTSB (0.56) MAPTALDH1A1CYP1A2CYP2C9SMN1; SMN2

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
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed