SCHEMBL5845554

SCHEMBL5845554

CCOC(=O)CSc1ccc(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
CXCR2 P25025 9/20 0.54
CXCR1 P25024 6/20 0.54
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL5846959 0.87 MAPT (0.59) MAPTCXCR2CXCR1HTTLMNA
SCHEMBL5846252 0.84 MAPT (0.67) MAPTCXCR2CXCR1LMNATP53
SCHEMBL5846736 0.79 MAPT (0.70) MAPTCXCR2CXCR1NPC1LMNA
SCHEMBL5846313 0.78 MAPT (0.78) MAPTCXCR2CXCR1LMNATP53
SCHEMBL6850672 0.78 CXCR2 (0.84) MAPTCXCR2CXCR1
SCHEMBL5847241 0.78 MAPT (0.68) MAPTCXCR2CXCR1HTTLMNA
SCHEMBL31173200 0.77 SMN1; SMN2 (0.59) MAPTNAMPTNPC1MAPK1HTT
SCHEMBL31114389 0.77 SMN1; SMN2 (0.59) MAPTNAMPTNPC1MAPK1HTT
SCHEMBL23899079 0.75 NAMPT (0.65) NAMPTNPC1TP53THRBALDH1A1
SCHEMBL5846964 0.75 MAPT (0.47) MAPTCXCR2CXCR1NPC1HTT

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
US-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-7105690-B2 Method for producing transition metal compounds and their use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-09-12 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed