SCHEMBL9757937

SCHEMBL9757937

N#CNCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA6 P23280 4/20 0.43
CA5A P35218 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA5B Q9Y2D0 4/20 0.43
CA1 P00915 3/20 0.43
CA3 P07451 3/20 0.43
TSHR P16473 2/20 0.43
F13A1 P00488 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
THPO P40225 2/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
MTOR P42345 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL22043806 0.89
SCHEMBL11653609 0.86
SCHEMBL11657008 0.86
SCHEMBL8760003 0.86
SCHEMBL11650970 0.86
SCHEMBL11654302 0.86
SCHEMBL27345895 0.85 TLR8 (0.35) CA12CA2CA4CA6CA5A
SCHEMBL11745151 0.77
SCHEMBL3294242 0.74 EPHX1 (0.48) CA2CA1TSHRCASP2
SCHEMBL5252546 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992200-A Of silver and gold as complexes of a guanidine compoumd HENKEL CORPORATION (US) 1991-02-12 US disclosed
US-4895597-A ION EXCHANGE WITH GUANIDINE FUNCTIONALITY HENKEL CORPORATION (US) 1990-01-23 US disclosed
US-4814007-A SOLVENT EXTRACTION, GUANIDINE COMPOUND HENKEL CORPORATION (US) 1989-03-21 US disclosed