SCHEMBL7527893

SCHEMBL7527893

N#CCOC(=O)[C@@H](N)CSCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.36
MAOB P27338 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL29462217 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTCYP1A2
SCHEMBL752337 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTCYP1A2
SCHEMBL752336 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTCYP1A2
SCHEMBL13606755 0.80 ALDH1A1 (0.44) ALDH1A1HPGDTSHRPOLBMAPT
SCHEMBL7897985 0.74 ALDH1A1 (0.46) ALDH1A1HPGDTSHRPOLBMAPT
SCHEMBL7897989 0.74 ALDH1A1 (0.46) ALDH1A1HPGDTSHRPOLBMAPT
SCHEMBL23525317 0.71 ALDH1A1 (0.49) ALDH1A1HPGDTSHRPOLBMAPT
SCHEMBL29890139 0.71 ALDH1A1 (0.52) ALDH1A1HPGDTSHRPOLBMAPT
SCHEMBL22766902 0.71 ALDH1A1 (0.52) ALDH1A1HPGDTSHRPOLBMAPT
SCHEMBL31481622 0.71 ALDH1A1 (0.62) ALDH1A1HPGDTSHRPOLBMAPT

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
EP-1219636-A2 Modified muteins of erythropoietin (EPO) derived from in vitro or in vivo expression system of microorganisms Dreambiogen Co., Ltd. (KR) 2002-07-03 EP disclosed
US-20020081734-A1 Modified muteins of erythropoietin derived from in vitro or in vivo expression system of microorganism DREAMBIOGEN CO., LTD. (KR) 2002-06-27 US disclosed