SCHEMBL9761612

SCHEMBL9761612

CCOc1nc([N+](=O)[O-])c(NC2CCCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GABBR2 O75899 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
HTT P42858 1/20 0.38
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL9762128 0.80 KMT2A (0.44) NPSR1NPBWR1MCHR1KMT2AMEN1
SCHEMBL9762566 0.72 NPBWR1 (0.41) NPSR1NPBWR1MCHR1KMT2AMEN1
SCHEMBL9761629 0.69 MAPT (0.42) NPSR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9762608 0.68 NPBWR1 (0.38) NPSR1NPBWR1MCHR1KMT2AMEN1
SCHEMBL9762467 0.67 MAPT (0.35) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL9762169 0.65 KMT2A (0.37) NPSR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9762597 0.65 KMT2A (0.40) NPSR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9762636 0.65 RIPK1 (0.41) NPSR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL19053520 0.65 MAPT (0.78) NPSR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9760872 0.63 SMN1; SMN2 (0.46) KMT2AMEN1MAPTSMN1; SMN2CYP1A2

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