SCHEMBL5979445

SCHEMBL5979445

Nc1nc(CC(=O)O)cs1.O=C(Nc1ccccc1)Nc1nccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.65
PIM1 P11309 1/20 0.65
CDK2 P24941 1/20 0.65
GSK3B P49841 1/20 0.65
HSD17B10 Q99714 2/20 0.54
GABRA5 P31644 1/20 0.54
GABRB2 P47870 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL4600722 0.81 AURKA (1.00) AURKAPIM1CDK2GSK3BHSD17B10
SCHEMBL23069040 0.76 AURKA (0.88) AURKAPIM1CDK2GSK3BHSD17B10
SCHEMBL909845 0.74 HSD17B10 (1.00) HSD17B10GABRA5GABRB2SMN1; SMN2MAPT
SCHEMBL27861124 0.73 SMN1; SMN2 (0.73) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL9864403 0.72 HSD17B10 (0.96) HSD17B10GABRA5GABRB2SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9694699 0.72 GABRA5 (0.96) HSD17B10GABRA5GABRB2SMN1; SMN2MAPT
SCHEMBL5979453 0.72 LMNA (0.41) AURKAPIM1CDK2GSK3BHSD17B10
SCHEMBL24101691 0.72 MAPT (0.70) AURKAPIM1CDK2GSK3BSMN1; SMN2
SCHEMBL28796060 0.71 NPC1 (0.71) AURKAPIM1CDK2GSK3BSMN1; SMN2
Methyl Alcohol SCHEMBL10946415 0.71 HSD17B10 (0.93) HSD17B10GABRA5GABRB2SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353676-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS ALTEON INC (US) 2006-05-31 EP disclosed
EP-1353676-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS Alteon, Inc. (US) 2003-10-22 EP disclosed
WO-2002053161-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS ALTEON, INC. (US) 2002-07-11 WO disclosed