SCHEMBL8181175

SCHEMBL8181175

Cc1cc(C)cc(/C=C2\SC(=O)NC2=N)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.53
▸ PIM1 P11309 7/20 0.51
▸ PIM2 Q9P1W9 6/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NAT1 P18440 1/20 0.45
▸ IGF1R P08069 3/20 0.42
▸ TTR P02766 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PIM3 Q86V86 1/20 0.41
▸ AKR1B1 P15121 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CFTR P13569 1/20 0.40

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
SCHEMBL8181179 1.00 BRD4 (0.53) BRD4PIM1PIM2HPGDNAT1
SCHEMBL8181936 0.78 BRD4 (0.58) BRD4PIM1PIM2HPGDIGF1R
SCHEMBL8181933 0.78 BRD4 (0.58) BRD4PIM1PIM2HPGDIGF1R
SCHEMBL8182649 0.77 MEN1 (0.58) PIM1PIM2HPGDNAT1NPC1
SCHEMBL8182645 0.77 MEN1 (0.58) PIM1PIM2HPGDNAT1NPC1
SCHEMBL8181483 0.73 BRD4 (0.53) BRD4PIM1PIM2HPGDIGF1R
SCHEMBL8181480 0.73 BRD4 (0.53) BRD4PIM1PIM2HPGDIGF1R
SCHEMBL8172516 0.71 TDP1 (0.68) BRD4PIM1PIM2HPGDPTGS2
SCHEMBL8172521 0.71 TDP1 (0.68) BRD4PIM1PIM2HPGDPTGS2
SCHEMBL8181187 0.69 PIM1 (0.55) BRD4PIM1PIM2HPGDIGF1R

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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