SCHEMBL16581296

SCHEMBL16581296

c1ccc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)nc3c2sc2ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.49
▸ LIMK1 P53667 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CYP11B2 P19099 4/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIP5K1C O60331 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 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
SCHEMBL19106253 0.98 CYP11B1 (0.51) CYP11B1LIMK1GPR84PIM1PIM2
SCHEMBL19106303 0.94 CYP11B1 (0.51) CYP11B1LIMK1GPR84PIM1PIM2
SCHEMBL19106280 0.93 CYP11B1 (0.52) CYP11B1LIMK1GPR84PIM1PIM2
SCHEMBL16581220 0.92 CYP11B1 (0.52) CYP11B1LIMK1GPR84CYP11B2GBA1
SCHEMBL19106373 0.91 CYP11B1 (0.37) CYP11B1LIMK1PIM1PIM2KMT2A
SCHEMBL19106383 0.89 CYP11B1 (0.36) CYP11B1LIMK1PIM1PIM2PIK3CA
SCHEMBL16581110 0.89 CYP11B1 (0.39) CYP11B1LIMK1PIM1PIM2KMT2A
SCHEMBL19106199 0.88 CYP11B1 (0.48) CYP11B1LIMK1GPR84PIM1PIM2
SCHEMBL16581201 0.87 CYP11B1 (0.38) CYP11B1LIMK1GPR84PIM1PIM2
SCHEMBL19106353 0.87 CYP11B1 (0.37) CYP11B1LIMK1PIM1PIM2PIK3CA

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-2015037675-A1 BENZOTHIENOPYRIMIDINE COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-03-19 — — WO disclosed
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