SCHEMBL8309729

SCHEMBL8309729

Cc1nccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)C2)n1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.89
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.45
CNR1 P21554 1/20 0.45
F10 P00742 4/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8310078 0.96 LSS (0.83) LSSALDH1A1NPC1RAB9ALMNA
SCHEMBL6182258 0.94 LSS (1.00) LSSALDH1A1NPC1RAB9APKM
SCHEMBL6977994 0.91 LSS (0.93) LSSALDH1A1NPC1RAB9APKM
SCHEMBL6977537 0.90 LSS (0.93) LSSALDH1A1NPC1RAB9AUSP2
SCHEMBL6977387 0.83 LSS (0.76) LSSALDH1A1LMNAHSD17B10POLB
SCHEMBL6980932 0.81 LSS (0.77) LSSALDH1A1NPC1RAB9ACNR1
SCHEMBL6974183 0.81 LSS (0.76) LSSNPC1RAB9ACNR1F10
SCHEMBL6978604 0.80 LSS (0.71) LSSALDH1A1LMNAHSD17B10POLB
SCHEMBL7336119 0.79 LSS (1.00) LSSALDH1A1PKMCNR1F10
SCHEMBL6981493 0.78 LSS (0.69) LSSLMNA

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