SCHEMBL5847572

SCHEMBL5847572

CCOC(=O)CSc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
CXCR2 P25025 11/20 0.59
CXCR1 P25024 6/20 0.59
TP53 P04637 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5847241 0.86 MAPT (0.68) MAPTCXCR2CXCR1TP53RXFP1
SCHEMBL6850672 0.82 CXCR2 (0.84) MAPTCXCR2CXCR1
SCHEMBL5846736 0.79 MAPT (0.70) MAPTCXCR2CXCR1TP53RXFP1
SCHEMBL5846313 0.78 MAPT (0.78) MAPTCXCR2CXCR1TP53LMNA
SCHEMBL5846252 0.77 MAPT (0.67) MAPTCXCR2CXCR1TP53RXFP1
SCHEMBL5846592 0.75 MEN1 (0.57) MAPTCXCR2ALDH1A1LMNAMEN1
SCHEMBL5845444 0.75 CXCR2 (1.00) MAPTCXCR2CXCR1
SCHEMBL5845554 0.74 MAPT (0.62) MAPTCXCR2CXCR1TP53RXFP1
SCHEMBL10697491 0.73 MAPT (0.61) MAPTRXFP1ALDH1A1LMNAMEN1
SCHEMBL5846271 0.73 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