SCHEMBL28844729

SCHEMBL28844729

CCOC(=O)c1cc2c(-c3ccc(OC)c(Cl)c3)ccc(F)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.43
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
PTGS2 P35354 4/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 2/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 1/20 0.39
MAPT P10636 4/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL28844677 0.86 IDO1 (0.54) IDO1TDO2PTGS2PTGS1
SCHEMBL1144707 0.83 KDM4E (0.52) PRKCZCDK1CCNB1IDO1TDO2
SCHEMBL5357191 0.80 CDK1 (0.52) CDK1CCNB1IDO1TDO2ALOX15
SCHEMBL4044128 0.78 ALOX15 (0.50) CDK1CCNB1IDO1TDO2ALOX15
SCHEMBL3276933 0.75 ALOX15 (0.47) CDK1CCNB1IDO1TDO2ALOX15
SCHEMBL29865051 0.73 IDO1 (0.77) IDO1TDO2MAPTALDH1A1KMT2A
SCHEMBL28471014 0.73 IDO1 (0.77) IDO1TDO2MAPTALDH1A1KMT2A
SCHEMBL28455876 0.73 ALOX15 (0.45) CDK1CCNB1IDO1TDO2ALOX15
SCHEMBL28844731 0.73 ALOX15 (0.45) CDK1CCNB1IDO1TDO2ALOX15
SCHEMBL5737160 0.73 KDM4E (0.51) CDK1CCNB1GAAMAPTTUBB4A

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed