SCHEMBL28321809

SCHEMBL28321809

CS(=O)(=O)C1CCCC(Nc2ncccc2C(N)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK8 P45983 4/20 0.43
MAPK9 P45984 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
AHR P35869 1/20 0.43
HTT P42858 1/20 0.42
AURKA O14965 3/20 0.41
RPS6KB1 P23443 3/20 0.41

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
SCHEMBL2718370 0.84 SYK (0.53) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3718998 0.81 MAPT (0.52) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28282945 0.79 KDM4E (0.45) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4584445 0.79 MAPT (0.55) SYKALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL22609596 0.77 MAPT (0.54) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28282989 0.77 JAK3 (0.55) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21774790 0.77 MAPK8 (0.41) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28870899 0.75 JAK3 (0.53) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28282980 0.74 MAPK8 (0.52) SYKALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28320669 0.74 MAPK8 (0.55) SYKALDH1A1HPGDKDM4EHSD17B10

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-110300754-A Pyrrolo [1,2-b ] pyridazine derivatives 吉利德科学公司 2019-10-01 CN disclosed