SCHEMBL20756201

SCHEMBL20756201

Ic1cccc2c1NCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
ADRA2B P18089 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KEAP1 Q14145 1/20 0.36
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
FABP6 P51161 1/20 0.33

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
SCHEMBL30343091 0.77 ITGB2 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL15202099 0.77 FABP6 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3115776 0.77 ALDH1A1 (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL5248739 0.77 ITGB2 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16404623 0.77 MAPT (0.43) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL979462 0.77 ITGB2 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL30641376 0.77 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL23532996 0.74 KDM4E (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL15996968 0.74 ALDH1A1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL15996958 0.74 FABP6 (0.41) ADRA2AADRA2CADRA1DADRA1AADRA1B

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
WO-2019034096-A1 FUSED BICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-02-21 WO disclosed