SCHEMBL9905776

SCHEMBL9905776

CCC1(C(C)Sc2nc(N(O)[C@H](C)CC(C)C)c3sc(=O)[nH]c3n2)C=CC=CN1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.37
CX3CR1 P49238 9/20 0.37

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
SCHEMBL4054094 0.81 CXCR2 (0.60) CXCR2CX3CR1
SCHEMBL4056044 0.70 CXCR2 (0.35) CXCR2CX3CR1
SCHEMBL4054364 0.68 CXCR2 (0.62) CXCR2CX3CR1
SCHEMBL9902066 0.68 CXCR2 (0.41) CXCR2CX3CR1
SCHEMBL4056085 0.65 CXCR2 (0.59) CXCR2CX3CR1
SCHEMBL4054922 0.59 CXCR2 (0.33) CXCR2CX3CR1
SCHEMBL12568551 0.55 CXCR2 (0.39) CXCR2CX3CR1
SCHEMBL212653 0.54 CXCR2 (0.81) CXCR2CX3CR1
SCHEMBL12022718 0.54 CXCR2 (0.71) CXCR2CX3CR1
SCHEMBL2003466 0.54 CXCR2 (0.72) CXCR2CX3CR1

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-2648754-A2 METHODS OF INHIBITING METASTASIS FROM CANCER Philadelphia Health and Education Corporation D/B/A (US) 2013-10-16 EP disclosed
WO-2012078633-A2 METHODS OF INHIBITING METASTASIS FROM CANCER PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) 2012-06-14 WO disclosed