SCHEMBL28196003

SCHEMBL28196003

COc1ccc(OC=O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
ALDH1A1 P00352 12/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 4/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL29650091 0.84 ALDH1A1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4063903 0.84 ALDH1A1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28218587 0.83 ALDH1A1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7290850 0.81 ALDH1A1 (0.49) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL5025448 0.81 L3MBTL1 (0.65) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL5026665 0.81 L3MBTL1 (0.65) ALDH1A1TDP1MAPTKDM4EMAPK1
SCHEMBL22025910 0.80 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17368518 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4HSD17B10MAPK1
Cyanide SCHEMBL11163252 0.80 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24749785 0.79 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-107540567-A A kind of preparation method of fast red KD base 浙江正大新材料科技有限公司 2018-01-05 CN disclosed