SCHEMBL8436704

SCHEMBL8436704

CCCCCCCCN(C=C1N=NN=N1)CCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.38
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL8438169 1.00 DNM1 (0.38) DNM1TSHRTHRBADH1CADH1A
SCHEMBL8441665 0.92
SCHEMBL9168510 0.68 DNM1 (0.38) DNM1TSHRTHRBADH1CADH1A
SCHEMBL10379497 0.68 DNM1 (0.52) DNM1TSHRTHRBADH1CADH1A
SCHEMBL8377234 0.66 DNM1 (0.50) DNM1TSHRTHRBADH1CADH1A
SCHEMBL8378580 0.66 DNM1 (0.50) DNM1TSHRTHRBADH1CADH1A
SCHEMBL8377127 0.66 DNM1 (0.50) DNM1TSHRTHRBADH1CADH1A
SCHEMBL8374767 0.66 DNM1 (0.50) DNM1TSHRTHRBADH1CADH1A
SCHEMBL18325052 0.66 DNM1 (0.50) DNM1TSHRTHRBADH1CADH1A
SCHEMBL4392237 0.66 DNM1 (0.50) DNM1TSHRTHRBADH1CADH1A

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
US-5925174-A SILANE COUPLERS AND COPPER INHIBITORS USING AZINE, AZOLE, AMINE AND DIACYLHYDRAZIDE HENKEL CORPORATION (US) 1999-07-20 US disclosed
WO-1996036747-A1 COMPOSITION AND PROCESS FOR TREATING THE SURFACE OF COPPER-CONTAINING METALS HENKEL CORPORATION (US) 1996-11-21 WO disclosed