SCHEMBL9569756

SCHEMBL9569756

COc1ccc(-c2csc(N=C(N)N)n2)cc1CN(C)C(N)=NC#N

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 17/20 0.50
ATP4B P51164 17/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.46
GFER P55789 1/20 0.45

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
SCHEMBL8993812 0.81 ATP4A (0.48) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL8993822 0.81 ATP4A (0.48) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL8650286 0.81 ATP4A (0.62) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL9297889 0.78 ATP4A (0.45) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL9298157 0.75 ATP4A (0.48) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL9292424 0.75 ATP4A (0.44) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL8649873 0.75 ATP4A (0.60) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL9298192 0.73 ATP4A (0.43) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL4109611 0.68 ATP4A (1.00) ATP4AATP4BNPC1MAPTRAB9A
Bromide SCHEMBL826017 0.67 ATP4A (1.00) ATP4AATP4BNPC1MAPTRAB9A

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
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed