SCHEMBL28664306

SCHEMBL28664306

CC(=O)Nc1cccc(-c2cc(O)[nH]n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
MAPT P10636 1/20 0.56
PRKD1 Q15139 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
STAT1 P42224 1/20 0.53
USP30 Q70CQ3 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CHEK1 O14757 1/20 0.51
FGFR1 P11362 1/20 0.51
NEK2 P51955 1/20 0.51
MAPK15 Q8TD08 1/20 0.51
BRAF P15056 3/20 0.50
JAK3 P52333 1/20 0.50
MELK Q14680 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NQO2 P16083 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
SCHEMBL17279957 0.84 PRKD1 (0.67) FYNMAPTPRKD1SMN1; SMN2NPC1
SCHEMBL25438397 0.83 PRKD1 (0.69) FYNMAPTPRKD1SMN1; SMN2NPC1
SCHEMBL10389970 0.82 MAPT (0.54) FYNMAPTPRKD1SMN1; SMN2NPC1
SCHEMBL10357366 0.78 RAB9A (0.65) MAPTPRKD1SMN1; SMN2NPC1RAB9A
SCHEMBL16844434 0.77 PRKD1 (0.56) FYNMAPTPRKD1SMN1; SMN2NPC1
SCHEMBL17279945 0.76 PRKD1 (0.64) MAPTPRKD1SMN1; SMN2NPC1RAB9A
SCHEMBL1528519 0.76 FYN (0.55) FYNMAPTPRKD1SMN1; SMN2NPC1
SCHEMBL6669387 0.74 MAPT (0.56) MAPTPRKD1SMN1; SMN2NPC1RAB9A
SCHEMBL5612710 0.74 MAPT (0.59) FYNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6924233 0.74 SMN1; SMN2 (0.56) FYNMAPTSMN1; SMN2NPC1RAB9A

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed