SCHEMBL7579928

SCHEMBL7579928

Cn1c(C(=O)NC(=N)N)cc2cc[c]cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MCL1 Q07820 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
GALR3 O60755 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
PHGDH O43175 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TRPA1 O75762 1/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL3341263 0.82 SLC9A1 (0.43) SLC9A1MCL1MEN1KMT2ANPC1
SCHEMBL3714299 0.81 MCL1 (0.58) SLC9A1MCL1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL8495806 0.80 MCL1 (0.56) SLC9A1MCL1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL8687275 0.75 CLK1 (0.51) ITGB3ITGA2BMCL1THRBMEN1
Hydrochloric Acid SCHEMBL8687228 0.74 KDM4E (0.59) ITGB3ITGA2BTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL8687052 0.74 RXFP1 (0.62) MEN1KMT2ARXFP1PHGDHHDAC1
Hydrochloric Acid SCHEMBL8687313 0.72 L3MBTL1 (0.65) ITGB3ITGA2BTHRBMEN1KMT2A
SCHEMBL6798160 0.72 GAA (0.39) SLC9A1ITGB3ITGA2BMCL1THRB
SCHEMBL6798165 0.70 GALR3 (0.38) SLC9A1ITGB3ITGA2BGALR3GAA
SCHEMBL3339080 0.70 SLC9A1 (0.43) SLC9A1MCL1THRBMEN1KMT2A

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-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP disclosed