SCHEMBL7701288

SCHEMBL7701288

COC(=O)c1cc2oc(C)cc2n1Cc1ccc(Cl)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.76
LMNA P02545 1/20 0.74
TP53 P04637 3/20 0.66
ABCB11 O95342 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.55
THRB P10828 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL7679796 0.92 MAPT (0.80) MAPTLMNATP53ABCB11SMN1; SMN2
SCHEMBL7680884 0.88 ABCB11 (0.81) MAPTLMNATP53ABCB11ALDH1A1
SCHEMBL7682546 0.81 ABCB11 (0.76) MAPTLMNATP53ABCB11SMN1; SMN2
SCHEMBL7680461 0.79 ABCB11 (0.81) MAPTLMNATP53ABCB11ALDH1A1
SCHEMBL7680923 0.78 ABCB11 (0.65) MAPTLMNATP53ABCB11SMN1; SMN2
SCHEMBL7679550 0.78 MAPT (0.62) MAPTLMNATP53ABCB11SMN1; SMN2
SCHEMBL7691746 0.78 ABCB11 (1.00) MAPTLMNAABCB11
SCHEMBL7681355 0.77 MAPT (0.61) MAPTLMNATP53ABCB11SMN1; SMN2
SCHEMBL7508693 0.77 MAPT (0.60) MAPTLMNATP53ABCB11SMN1; SMN2
SCHEMBL7511032 0.76 MAPT (0.59) MAPTLMNATP53ABCB11SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed