SCHEMBL7610000

SCHEMBL7610000

O=[N+]([O-])c1ccc(-c2c(Cl)ccc(Sc3ccc(Cl)c(-c4ccc([N+](=O)[O-])cc4C(F)(F)F)c3Cl)c2Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.49
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7B Q9NP56 1/20 0.40
AR P10275 6/20 0.40

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
SCHEMBL7605577 0.84 HSD17B10 (0.53) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7605576 0.83 PDE7A (0.48) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL7606524 0.81 PDE7A (0.54) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10
SCHEMBL29563911 0.79 HSD17B10 (0.60) PDE7AHSD17B10RORC
SCHEMBL1148427 0.79 HSD17B10 (0.60) PDE7AHSD17B10RORC
SCHEMBL27895137 0.78 PDE7A (0.73) PDE7ATXNRD1TXNRD3TXNRD2PDE4B
Selenium SCHEMBL10605380 0.78 HSD17B10 (0.58) PDE7AHSD17B10RORC
SCHEMBL7606300 0.78 TSHR (0.53) PDE7A
SCHEMBL3207733 0.76 AR (0.53) PDE7AAR
SCHEMBL7610002 0.75 PDE7A (0.59) PDE7ATXNRD1TXNRD3TXNRD2HSD17B10

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
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO disclosed