SCHEMBL6659092

SCHEMBL6659092

NC(=O)C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
TSHR P16473 2/20 0.55
IDO1 P14902 4/20 0.54
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.52
MAPK8 P45983 1/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL2673969 0.86 LOXL2 (0.59) LOXL2ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11771000 0.85 IDO1 (0.57) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5160372 0.82 CYP2C19 (0.67) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6932662 0.82 CYP2C19 (0.61) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12953925 0.81 LOXL2 (0.57) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1829314 0.81 LOXL2 (0.57) LOXL2ALDH1A1MAPTMEN1KMT2A
Water SCHEMBL8902538 0.81 CYP2C19 (0.65) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3344816 0.81 CYP2C19 (0.56) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12415768 0.81 IDO1 (0.64) LOXL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12415809 0.81 IDO1 (0.64) LOXL2ALDH1A1MAPTMEN1KMT2A

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-115403506-B Preparation method of indole-2-carboxylic acid derivative 江西亚太科技发展有限公司 2024-02-13 CN disclosed
WO-2004012506-A2 ANTIMICROBIAL COMPOUNDS EXEGENICS, INC. (US) 2004-02-12 WO disclosed