SCHEMBL8558846

SCHEMBL8558846

Cc1c(-c2ccccc2)sc2ncc(C(C)C)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.51
MEN1 O00255 1/20 0.39
ALOX5 P09917 2/20 0.39
FDPS P14324 2/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
GRM6 O15303 3/20 0.34
FGFR1 P11362 1/20 0.33
XIAP P98170 1/20 0.33
GRM5 P41594 1/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8151869 0.83 LIMK1 (0.48) LIMK1MEN1ALOX5FDPSBCL2
SCHEMBL7518124 0.81 LIMK1 (0.46) LIMK1MEN1ALOX5FDPSBCL2
SCHEMBL7519571 0.78 LIMK1 (0.49) LIMK1MEN1ALOX5FDPSBCL2
SCHEMBL7521021 0.76 GRM6 (0.48) LIMK1MEN1GRM6CYP1A2CYP3A4
SCHEMBL7545563 0.74 MAPT (0.50) LIMK1MEN1GRM6LMNACYP1A2
SCHEMBL423214 0.70 LIMK1 (0.72) LIMK1MEN1FDPSBCL2BCL2L1
SCHEMBL4765789 0.68 LIMK1 (0.68) LIMK1MEN1FDPSADRB2ADRB1
SCHEMBL7010058 0.65 ALOX5 (0.40) LIMK1MEN1ALOX5FDPSADRB2
SCHEMBL10698380 0.65 ALOX5 (0.48) LIMK1ALOX5GRM6GRM5HPGD
SCHEMBL16996824 0.63 GRM6 (0.52) LIMK1MEN1ALOX5GRM6GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862573-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
US-5744479-A PITUITARY HORMONE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
WO-1997014697-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-24 WO disclosed