SCHEMBL11235113

SCHEMBL11235113

COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ABCB1 P08183 6/20 0.57
ABCC1 P33527 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KCNMA1 Q12791 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 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
SCHEMBL2031092 0.82 KCNK2 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13802483 0.82 WDR5 (0.60) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11239532 0.81 ABCB1 (0.57) ALDH1A1ABCB1ABCC1SMN1; SMN2MEN1
SCHEMBL11228267 0.81 MEN1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL9352575 0.80 AKR1C3 (0.56) SMN1; SMN2MEN1KMT2AKCNMA1L3MBTL1
SCHEMBL13802484 0.79 HTT (0.74) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4699872 0.79 CHEK1 (0.76) ALDH1A1ABCB1SMN1; SMN2MEN1KMT2A
SCHEMBL2024935 0.79 MEN1 (0.71) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL11573780 0.79 AKR1C4 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13561219 0.77 MEN1 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2AKCNMA1

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
US-4337270-A ANTIALLERGENS; ANTIANAPHYLACTIC AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-06-29 US disclosed