SCHEMBL10453552

SCHEMBL10453552

CS/C(=N\S(=O)(=O)Cc1ccccc1)Nc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.49
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.43
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
AR P10275 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.39
NAMPT P43490 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL10453553 1.00 RORC (0.49) RORCF2PRSS1PRSS2PRSS3
SCHEMBL10453766 0.81 LMNA (0.50) ALDH1A1MAPTKMT2AKDM1ACA12
SCHEMBL9528945 0.81 LMNA (0.50) ALDH1A1MAPTKMT2AKDM1ACA12
SCHEMBL10452497 0.79 KDM1A (0.46) ALDH1A1MAPTKMT2ASAE1UBA2
SCHEMBL10452496 0.79 KDM1A (0.46) ALDH1A1MAPTKMT2ASAE1UBA2
SCHEMBL9530551 0.78 RORC (0.44) RORCALDH1A1KMT2ASAE1UBA2
SCHEMBL10453544 0.78 RORC (0.47) RORCF2PRSS1PRSS2PRSS3
SCHEMBL9530625 0.76 MAOA (0.44) RORCALDH1A1KMT2ASAE1UBA2
SCHEMBL10453554 0.76 MAPT (0.44) RORCALDH1A1MAPTARMAOA
SCHEMBL10453550 0.73 NOS3 (0.44) ALDH1A1MAPTKMT2ASAE1UBA2

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-4921939-A GUANIDINE AND AMIDINE COMPOUNDS CONTAINING ACID GROUPS UNIVERSITE CLAUDE BERNARD -LYON 1 (FR) 1990-05-01 US disclosed