SCHEMBL2475745

SCHEMBL2475745

c1ccc2c(c1)ncn2CC1COCCN1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TNF P01375 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OGFRL1 Q5TC84 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRL1 P41146 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
DAO P14920 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39

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
SCHEMBL1177265 1.00 TDP1 (0.46) TDP1CYP11B1CYP11B2HTTLMNA
SCHEMBL1255701 0.80 HTT (0.52) TDP1CYP11B1CYP11B2HTTLMNA
SCHEMBL30475094 0.80 HTT (0.52) TDP1CYP11B1CYP11B2HTTLMNA
SCHEMBL1255703 0.80 HTT (0.52) TDP1CYP11B1CYP11B2HTTLMNA
SCHEMBL1177889 0.76 CYP2D6 (0.49) TDP1TSHROPRM1OPRK1OGFRL1
SCHEMBL6969625 0.74 TDP1 (0.58) TDP1CYP11B1CYP11B2HTTLMNA
SCHEMBL4295876 0.72 EGLN3 (0.46) TDP1CYP11B1CYP11B2LMNATNF
SCHEMBL4295875 0.72 EGLN3 (0.46) TDP1CYP11B1CYP11B2LMNATNF
SCHEMBL23499140 0.72 TDP1 (0.54) TDP1CYP11B1CYP11B2HTTLMNA
SCHEMBL29668645 0.72 TDP1 (0.54) TDP1CYP11B1CYP11B2HTTLMNA

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
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed