SCHEMBL13635138

SCHEMBL13635138

NC(N)=NC(=O)c1ccc2c3c(CO)cccc3n(Cc3cccs3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 7/20 0.40
▸ HTR7 P34969 6/20 0.40
▸ SLC9A1 P19634 2/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL3777210 0.87 HTR2B (0.46) HTR2BHTR7SLC9A1MEN1KMT2A
SCHEMBL3771711 0.76 HTR2B (0.43) HTR2BHTR7SLC9A1HTR5A
SCHEMBL13011638 0.73 HTR2B (0.44) HTR2BHTR7SLC9A1HTR5A
SCHEMBL13011684 0.73 HTR2B (0.45) HTR2BHTR7SLC9A1ALDH1A1NPC1
SCHEMBL13011567 0.72 RAB9A (0.42) OPRK1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL13011911 0.72 NPC1 (0.46) KLKB1KLK1L3MBTL1ALDH1A1LMNA
SCHEMBL13011775 0.72 HTR2B (0.46) HTR2BHTR7SLC9A1OPRM1OPRK1
SCHEMBL13011375 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL13011681 0.71 HTR2B (0.45) HTR2BHTR7SLC9A1HDAC1HDAC6
SCHEMBL3767125 0.70 CYP19A1 (0.53) HTR2BHTR7SLC9A1MEN1KMT2A

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-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
Send feedback