SCHEMBL28005154

SCHEMBL28005154

CCOC(=O)CCCc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 5/20 0.55
KCNJ1 P48048 2/20 0.55
LMNA P02545 2/20 0.55
PKM P14618 2/20 0.54
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 2/20 0.46
RIPK1 Q13546 1/20 0.43
DGAT1 O75907 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL28307940 0.93 MAPT (0.63) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL7353785 0.86 HSD17B10 (0.62) MAPTALDH1A1KCNJ1LMNAPKM
Methane SCHEMBL16579836 0.85 MAPT (0.51) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL28289713 0.85 ALDH1A1 (0.65) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL28307941 0.84 KDM4E (0.68) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL28005156 0.84 MAPT (0.62) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL7608604 0.82 KDM4E (0.67) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL9642123 0.82 MAPT (0.78) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL7350400 0.82 KDM4E (0.54) MAPTALDH1A1KCNJ1LMNAPKM
SCHEMBL7033532 0.81 MAPT (0.72) MAPTALDH1A1KCNJ1LMNAPKM

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-104418806-B A kind of Preparation Method And Their Intermediate of hydrochloric acid N- demethyl bendamustine 上海龙翔生物医药开发有限公司 2019-06-21 CN disclosed
CN-104418806-A Preparation method of hydrochloric acid N-demethylated bendamustine and intermediate of hydrochloric acid N-demethylated bendamustine KNOWSHINE SHANGHAI PHARMACHEMICALS INC 2015-03-18 CN disclosed