SCHEMBL5846252

SCHEMBL5846252

CCOC(=O)CSc1ccc(C(=O)Nc2cccc(I)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
CXCR2 P25025 10/20 0.57
CXCR1 P25024 6/20 0.57
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 4/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL5846313 0.87 MAPT (0.78) MAPTCXCR2CXCR1LMNAKDM4E
SCHEMBL5846736 0.86 MAPT (0.70) MAPTCXCR2CXCR1LMNAKDM4E
SCHEMBL5845554 0.84 MAPT (0.62) MAPTCXCR2CXCR1LMNAKDM4E
SCHEMBL6850672 0.81 CXCR2 (0.84) MAPTCXCR2CXCR1
SCHEMBL5847241 0.81 MAPT (0.68) MAPTCXCR2CXCR1LMNAKDM4E
SCHEMBL5847572 0.77 MAPT (0.63) MAPTCXCR2CXCR1LMNAKDM4E
SCHEMBL5846959 0.76 MAPT (0.59) MAPTCXCR2CXCR1LMNAKDM4E
SCHEMBL5845444 0.73 CXCR2 (1.00) MAPTCXCR2CXCR1
SCHEMBL5846068 0.71 CXCR2 (1.00) MAPTCXCR2CXCR1
SCHEMBL5846271 0.70 CXCR2 (1.00) MAPTCXCR2CXCR1

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
US-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 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