SCHEMBL28822467

SCHEMBL28822467

CCc1ccc(C(=O)Nc2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.52
RAB9A P51151 4/20 0.50
ABCG2 Q9UNQ0 3/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 6/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL28033803 0.81 ALOX15 (0.64) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8830296 0.79 KAT2B (0.46) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28034425 0.79 RAB9A (0.50) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20631111 0.78 LMNA (0.71) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1663288 0.77 KCNMA1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9191303 0.77 SMN1; SMN2 (0.56) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13634220 0.76 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27657640 0.76 GAA (0.71) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8830192 0.76 RXRA (0.53) LMNAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL29269275 0.76 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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-105085433-B Substituted amide phenol compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2019-06-25 CN disclosed
CN-105085433-A Substituted-amide phenolic compound, preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2015-11-25 CN disclosed