SCHEMBL28538686

SCHEMBL28538686

Cc1c(-c2ccccc2)c(=O)oc2c(C)cc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.51
KCNA3 P22001 5/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 3/20 0.42
PDGFRA P16234 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK5 Q00535 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 1/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL3076361 0.88 ERAP1 (0.51) ERAP1KCNA3CYP1A1CYP1A2CYP1B1
SCHEMBL3091877 0.79 ERAP1 (0.58) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL28538536 0.78 MCL1 (0.53) ERAP1KCNA3CYP1A1CYP1A2CYP1B1
SCHEMBL12813584 0.75 ESR2 (0.42) ERAP1KCNA3KDM4ENPC1ALDH1A1
SCHEMBL3067421 0.75 ERAP1 (0.52) ERAP1KCNA3CYP1A1CYP1A2CYP1B1
SCHEMBL18788967 0.74 KCNA3 (0.60) ERAP1KCNA3KDM4EALDH1A1
SCHEMBL28540828 0.73 ERAP1 (0.45) ERAP1KCNA3CYP1A1CYP1A2CYP1B1
SCHEMBL5085541 0.72 ERAP1 (0.47) ERAP1KDM4ENPC1ALDH1A1KMT2A
SCHEMBL18073992 0.71 KCNA3 (0.67) ERAP1KCNA3CYP1A1CYP1A2CYP1B1
SCHEMBL4449250 0.71 ERAP1 (0.68) ERAP1CYP1A1CYP1A2CYP1B1KDM4E

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-107973768-B Method for synthesizing coumarin compound in one step 江苏欣诺科催化剂有限公司 2020-11-10 CN disclosed