SCHEMBL7991044

SCHEMBL7991044

Nc1cccc(OC(=O)c2cc3ccccc3cc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
KDR P35968 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
IDO1 P14902 1/20 0.53
F2 P00734 1/20 0.50
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11800875 0.87 IDO1 (0.65) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL28261883 0.85 MAPT (0.58) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL17744895 0.84 SMN1; SMN2 (0.54) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL27810842 0.83 KMT2A (0.54) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL8003577 0.81 IDO1 (0.49) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL28261885 0.79 MAPT (0.60) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL27779881 0.79 MAPT (0.79) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL28150196 0.79 MAPT (0.56) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL28261900 0.79 MAPT (0.49) MAPTCYP3A4LMNATP53ADORA3
SCHEMBL8006520 0.78 IDO1 (0.66) MAPTCYP3A4LMNATP53ADORA3

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed