SCHEMBL11810751

SCHEMBL11810751

CCCCCCCNC(=N)NC#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.45
CASP2 P42575 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 2/20 0.39
NAAA Q02083 1/20 0.39
PLA2G2A P14555 1/20 0.39
SPHK1 Q9NYA1 3/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL918587 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937986 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL2152762 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11726308 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937657 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11726259 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL12669343 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11125409 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937316 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11808849 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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-3996232-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1976-12-07 US disclosed