SCHEMBL5845407

SCHEMBL5845407

O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 1.00
CXCR1 P25024 15/20 1.00
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
GABRA5 P31644 1/20 0.55
P4HTM Q9NXG6 1/20 0.51

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
SCHEMBL5846981 0.91 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL5845430 0.90 CXCR2 (0.81) CXCR2CXCR1GABRA5
SCHEMBL5846179 0.90 CXCR2 (0.81) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL5845309 0.90 CXCR2 (0.81) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL2158636 0.89 CXCR2 (0.80) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL5845483 0.88 CXCR2 (0.84) CXCR2CXCR1GABRA5
SCHEMBL5846283 0.88 CXCR2 (0.84) CXCR2CXCR1GABRA5
SCHEMBL5846801 0.88 CXCR2 (0.78) CXCR2CXCR1GABRA5
SCHEMBL5660485 0.87 CXCR2 (0.77) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL5846575 0.86 CXCR1 (0.76) CXCR2CXCR1GABRA5P4HTM

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