SCHEMBL3670069

SCHEMBL3670069

O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.72
APOBEC3G Q9HC16 2/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3B Q9UH17 1/20 0.56
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NOX1 Q9Y5S8 5/20 0.52
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2A1 P68400 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL3671390 0.88 CSNK2A2 (0.65) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3668829 0.85 DGAT1 (0.74) DGAT1POLBKDM4EALDH1A1HPGD
SCHEMBL601944 0.84 DGAT1 (1.00) DGAT1
SCHEMBL3671454 0.82 DGAT1 (0.69) DGAT1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL3666190 0.82 DGAT1 (0.57) DGAT1KDM4EALDH1A1SMN1; SMN2CSNK2A2
SCHEMBL3669152 0.82 DGAT1 (0.57) DGAT1KDM4EALDH1A1SMN1; SMN2CSNK2A2
SCHEMBL3668679 0.79 DGAT1 (0.71) DGAT1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL3672702 0.79 DGAT1 (0.59) DGAT1KDM4EALDH1A1SMN1; SMN2CSNK2A2
SCHEMBL13357696 0.78 KDM4E (0.78) DGAT1APOBEC3GAPOBEC3AAPOBEC3BCYP1A2
SCHEMBL18762150 0.78 BLM (0.70) DGAT1APOBEC3GAPOBEC3AAPOBEC3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP claimed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO claimed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed