Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4735488

N.O=S(=O)(O)CCCNC1CCCCC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.45
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 1/20 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
SCHEMBL37872 0.98 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL21518374 0.98 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL918578 0.98 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL31100384 0.96 CXCR4 (0.45) CXCR4CXCL12KMT2AHRH4HRH3
Phosphine SCHEMBL28328787 0.96 CXCR4 (0.45) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL3857080 0.96 CXCR4 (0.45) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL918520 0.96 CXCR4 (0.44) CXCR4CXCL12KMT2AHRH4HRH3
Phosphine SCHEMBL28327588 0.95 CXCR4 (0.44) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL21518399 0.94 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3
SCHEMBL165817 0.94 CXCR4 (0.46) CXCR4CXCL12KMT2AHRH4HRH3

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
WO-2008052566-A1 CCL8 BASED IMMUNOLOGICAL MONITORING HVIDOVRE HOSPITAL (DK) 2008-05-08 WO disclosed