SCHEMBL28909286

SCHEMBL28909286

CC(C=CC(=O)ON=C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 13/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL28532356 0.73 MAPT (0.47) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL6295286 0.73 AKT1 (0.48) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL22268377 0.71 ALDH1A1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL213829 0.70 ALDH1A1 (0.51) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
(Diphenylmethylidene)Amino Benzoate SCHEMBL92010 0.68 ALDH1A1 (0.66) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL14278328 0.67 ALDH1A1 (0.64) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL11333722 0.67 ALDH1A1 (0.50) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL24961282 0.66 POLB (0.49) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL15969360 0.66 ELANE (0.49) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL26908691 0.66 MAPT (0.55) MAPTRAB9ANPC1NFKB1NFKB2

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-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed