SCHEMBL28850334

SCHEMBL28850334

CC(C)(O)C#Cc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 7/20 0.46
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 2/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
GFER P55789 2/20 0.40
KMT2A Q03164 2/20 0.40
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
SCHEMBL11459461 0.84 ALDH1A1 (0.47) GAATSHRTDP1ALDH1A1HTT
SCHEMBL1629852 0.80 CYP3A4 (0.56) CYP3A4GAATSHRTHRBTDP1
SCHEMBL6205935 0.78 TDP1 (0.51) CYP3A4GAATSHRTHRBTDP1
SCHEMBL8957874 0.76 CYP3A4 (0.51) CYP3A4GAATSHRTHRBTDP1
SCHEMBL1631297 0.76 CYP3A4 (0.51) CYP3A4GAATSHRTHRBTDP1
SCHEMBL7911029 0.74 ALDH1A1 (0.61) TDP1ALDH1A1HTTCASP3SENP8
SCHEMBL28774866 0.74 CYP3A4 (0.56) CYP3A4GAATSHRTHRBTDP1
SCHEMBL845167 0.73 ALDH1A1 (0.54) TSHRTDP1ALDH1A1ALOX15HTT
SCHEMBL1706658 0.73 VCAM1 (0.59) CYP3A4GAATSHRTHRBTDP1
SCHEMBL11443594 0.72 MAPT (0.41) ALDH1A1HTTMAPTNPC1RAB9A

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
CN-114805349-A Preparation method of natural product veranamine alkaloid 河北工业大学 2022-07-29 CN disclosed