SCHEMBL8172756

SCHEMBL8172756

O=C1NC(=O)C(=CC=Cc2ccc(-c3ccccc3)cc2)S1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.57
▸ PIM3 Q86V86 1/20 0.57
▸ PIM2 Q9P1W9 1/20 0.57
▸ NAT1 P18440 1/20 0.55
▸ CDC25B P30305 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ MAPK10 P53779 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ PTPN1 P18031 2/20 0.50
▸ PPARA Q07869 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GLS O94925 1/20 0.48
▸ GLS2 Q9UI32 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL8181632 0.94 PIM1 (0.54) PIM1PIM3PIM2NAT1CDC25B
SCHEMBL8181630 0.94 PIM1 (0.54) PIM1PIM3PIM2NAT1CDC25B
SCHEMBL13846678 0.92 PIM1 (0.67) PIM1PIM3PIM2NAT1CDC25B
SCHEMBL22409611 0.92 PIM1 (0.67) PIM1PIM3PIM2NAT1CDC25B
SCHEMBL22423780 0.92 PIM1 (0.67) PIM1PIM3PIM2NAT1CDC25B
SCHEMBL1248780 0.82 PIM1 (0.83) PIM1PIM3PIM2NAT1HPGD
SCHEMBL1248782 0.82 PIM1 (0.83) PIM1PIM3PIM2NAT1HPGD
SCHEMBL12891790 0.82 PIM1 (0.83) PIM1PIM3PIM2NAT1HPGD
SCHEMBL8188705 0.81 TDP1 (0.68) PIM1PIM3PIM2NAT1CDC25B
SCHEMBL8187128 0.79 PIM1 (0.53) PIM1PIM3PIM2CDC25BHPGD

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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