SCHEMBL28092503

SCHEMBL28092503

COc1c(C2CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 5/20 0.45
MAPK1 P28482 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL2205192 0.90 HTR2C (0.50) TDP1ALDH1A1MAPTMAPK1HTR2C
SCHEMBL6367939 0.84 HTR2C (0.41) TDP1ALDH1A1HTR2C
SCHEMBL358770 0.80 TDP1 (0.61) TDP1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL6827413 0.80 MAPT (0.42) TDP1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL6829470 0.80 RBP4 (0.44) TDP1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL18184967 0.78 TDP1 (0.62) TDP1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL27556494 0.78 MAPT (0.39) TDP1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL18185031 0.77 TDP1 (0.40) TDP1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL3253975 0.77 HSD17B10 (0.47) TDP1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL31525035 0.77 HSD17B10 (0.47) TDP1ALDH1A1MAPTL3MBTL1KMT2A

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
CN-105849082-B The manufacturing method of nitro compound 住友化学株式会社 2018-07-13 CN disclosed
CN-105849082-A Method for producing nitro compound 住友化学株式会社 2016-08-10 CN disclosed