SCHEMBL6977162

SCHEMBL6977162

O=C(C1CCN(c2ccncn2)CC1)N1CCCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.75
NPC1 O15118 1/20 0.59
HPGD P15428 2/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.52
POLB P06746 2/20 0.51
RIPK1 Q13546 1/20 0.51
CHRM1 P11229 1/20 0.51
CNR1 P21554 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 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
SCHEMBL6977459 0.90 LSS (0.93) LSSNPC1HPGDALDH1A1L3MBTL1
SCHEMBL6981670 0.90 LSS (0.76) LSSNPC1LMNAL3MBTL1POLB
SCHEMBL7336119 0.86 LSS (1.00) LSSLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL1387275 0.85 LSS (0.73) LSSLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6184509 0.83 LSS (0.77) LSSL3MBTL1CHRM1CNR1
SCHEMBL6180071 0.82 LSS (0.75) LSSLMNASMN1; SMN2MAPK1HSD17B10
SCHEMBL6184180 0.82 LSS (0.92) LSSNPC1HPGDLMNAALDH1A1
Acetonitrile SCHEMBL6181195 0.81 LSS (0.89) LSSNPC1ALDH1A1L3MBTL1CHRM1
SCHEMBL6980850 0.80 LSS (0.61) LSSNPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL1387187 0.79 F10 (0.77) LSSLMNASMN1; SMN2MAPK1HSD17B10

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-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed