SCHEMBL28534811

SCHEMBL28534811

CCn1ncc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.45
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 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
SCHEMBL5416945 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL18359303 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL27468547 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL570007 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL10775005 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL10916809 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL7513902 0.82 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL22119164 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL3998201 0.78 GAA (0.58) HPGDMEN1KMT2AGAAPOLB
Hydrochloric Acid SCHEMBL28543626 0.77 GAA (0.57) HPGDMEN1KMT2AGAAPOLB

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-111902400-A Aromatic derivatives, process for their preparation and their medical use 保仕健生物科技(上海)有限公司 2020-11-06 CN disclosed