SCHEMBL28239349

SCHEMBL28239349

COc1ccc(C(C)C)cc1-c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.51
ATM Q13315 1/20 0.45
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.40
CTSA P10619 6/20 0.39
NR4A1 P22736 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KLK3 P07288 1/20 0.39
CHEK1 O14757 1/20 0.38
TSHR P16473 1/20 0.38
USP7 Q93009 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MAPT P10636 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
SCHEMBL14951105 0.80 KDM4E (0.48) ALDH1A1SMN1; SMN2POLBHPGDNR4A1
SCHEMBL481771 0.79 ALOX5AP (0.51) FYNUSP7
SCHEMBL25619237 0.79 ALOX5AP (0.39) FYNALDH1A1SMN1; SMN2
SCHEMBL8940819 0.77 HDAC4 (0.50) FYNALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL21095840 0.77 ALDH1A1 (0.44) FYNATMALDH1A1SMN1; SMN2POLB
SCHEMBL21030426 0.76 NPC1 (0.42) SMN1; SMN2
SCHEMBL27316386 0.75 SMN1; SMN2 (0.51) FYNALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL3925174 0.75 CASR (0.48) FYNALDH1A1SMN1; SMN2HPGDCHEK1
SCHEMBL3921631 0.75 CASR (0.48) ALDH1A1NPSR1CHEK1MAPT
SCHEMBL30636365 0.74 HSD17B10 (0.55) FYNALDH1A1SMN1; SMN2POLBHPGD

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-108368494-A Methods, compositions and uses of novel FYN kinase inhibitors 沃伦·C·刘 2018-08-03 CN claimed
CN-108368494-A Methods, compositions and uses of novel FYN kinase inhibitors 沃伦·C·刘 2018-08-03 CN disclosed