SCHEMBL7716607

SCHEMBL7716607

Nc1ncc(Oc2ccc(Cl)cc2)c(N2CCN(C(=O)c3ccco3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
CYP2C9 P11712 3/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C19 P33261 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX12 P18054 1/20 0.47
GFER P55789 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL8149137 0.95 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL7714727 0.84 ALDH1A1 (0.51) LMNAALDH1A1HSD17B10
SCHEMBL7708563 0.82 PI4KB (0.46) ALDH1A1HPGD
SCHEMBL7714584 0.80 TRPA1 (0.55) NPC1RAB9AALDH1A1CYP2C9USP2
SCHEMBL7714733 0.79 PDGFRB (0.43) MAPTLMNA
SCHEMBL7714261 0.79 MAPT (0.50) MAPTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL7714374 0.78 PI4KB (0.58) MAPTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL7712411 0.78 PI4KB (0.48) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL7712462 0.78 PI4KB (0.53) MAPTSMN1; SMN2LMNARAB9ACYP2C9
SCHEMBL7711739 0.78 PI4KB (0.48) MAPTSMN1; SMN2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US claimed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP claimed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO claimed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed