SCHEMBL8310078

SCHEMBL8310078

Cc1nccc(N2CCC(C(=O)N3CCCN(S(=O)(=O)c4ccc(Br)cc4)CC3)C2)n1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.83
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.43

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
SCHEMBL8309729 0.96 LSS (0.89) LSSNPC1RAB9AALDH1A1POLB
SCHEMBL6977994 0.95 LSS (0.93) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6182258 0.91 LSS (1.00) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6977537 0.87 LSS (0.93) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6980932 0.86 LSS (0.77) LSSNPC1RAB9AALDH1A1
SCHEMBL6978604 0.84 LSS (0.71) LSSALDH1A1POLBL3MBTL1LMNA
SCHEMBL6975859 0.82 LSS (0.71) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6977387 0.80 LSS (0.76) LSSALDH1A1POLBL3MBTL1LMNA
SCHEMBL6977459 0.80 LSS (0.93) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6980904 0.79 LSS (0.68) LSSNPC1RAB9AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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