SCHEMBL10719829

SCHEMBL10719829

CC(C)(C)Nc1ccc2ccccc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.48
CHEK1 O14757 1/20 0.44
CDK8 P49336 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
LDHA P00338 1/20 0.42
ATM Q13315 1/20 0.42
TRIM24 O15164 1/20 0.41
SALL4 Q9UJQ4 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14310593 0.79 PTPN22 (0.54) IDO1PTPN22CHEK1CDK8NEK2
SCHEMBL8845568 0.76 PTPN22 (0.56) PTPN22CHEK1CDK8NEK2LIMK1
SCHEMBL2622223 0.76 IDO1 (0.55) IDO1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL31303189 0.76 IDO1 (0.55) IDO1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL9362019 0.76 PTPN22 (0.56) PTPN22CHEK1CDK8NEK2LIMK1
Hydrochloric Acid SCHEMBL9365816 0.76 PTPN22 (0.56) PTPN22CHEK1CDK8NEK2LIMK1
SCHEMBL8468822 0.76 IDO1 (0.47) IDO1ATMALDH1A1KDM4EMEN1
SCHEMBL1568494 0.75 MEN1 (0.48) PTPN22CHEK1CDK8NEK2LIMK1
SCHEMBL27689048 0.75 PTPN22 (0.54) PTPN22CHEK1CDK8NEK2LIMK1
SCHEMBL21668009 0.74 ALDH1A1 (0.45) IDO1HSD17B10CYP2C9CYP2C19ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62134643-A None JP disclosed
JP-62247352-A None JP disclosed
JP-S62247352-A BLACK COLOR DEVELOPING DIAZO COPYING MATERIAL DAICEL CHEM IND LTD 1987-10-28 JP disclosed
JP-S62134643-A TWO COMPONENT TYPE DIAZO COPYING MATERIAL DAICEL CHEM IND LTD 1987-06-17 JP disclosed