SCHEMBL6977047

SCHEMBL6977047

CNc1cc(N2CCN(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.51
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.44
GPR183 P32249 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7085163 0.88 LSS (0.69) LSSALDH1A1L3MBTL1
SCHEMBL6978885 0.87 ALDH1A1 (0.54) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL6967361 0.86 LSS (0.53) LSSKDM4EMEN1KMT2ANOD2
SCHEMBL6975703 0.84 LSS (0.53) LSSKDM4EMEN1KMT2ANOD2
SCHEMBL6977387 0.76 LSS (0.76) LSSKDM4EMEN1KMT2ANOD2
SCHEMBL6981045 0.76 LSS (0.54) LSSKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL6980671 0.76 CCR6 (0.51) LSSKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL7654951 0.74 LSS (0.72) LSSMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6978604 0.73 LSS (0.71) LSSKDM4EMEN1KMT2AMAPT
SCHEMBL7446074 0.72 LSS (0.73) LSSGPR183ALDH1A1SMN1; SMN2LMNA

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-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed