SCHEMBL11320156

SCHEMBL11320156

CN(C(=O)NC(=N)N)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
APEX1 P27695 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
ACLY P53396 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL11277987 0.92 KDM4E (0.34) FSCN1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11269830 0.91 KDM4E (0.33) FSCN1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11430940 0.90 CA1 (0.32) FSCN1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11422730 0.90 FSCN1 (0.32) FSCN1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11306907 0.89 PRSS1 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11412917 0.89 CYP1A2 (0.35) FSCN1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11431429 0.88 CA1 (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11420431 0.88 ALDH1A1 (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11440683 0.88 CA1 (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11421476 0.87 GAA (0.36) NPC1KDM4EALDH1A1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4219567-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1980-08-26 US claimed
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US claimed
US-4283555-A Amidinoureas WILLIAM H. RORER, INC. (US) 1981-08-11 US disclosed
US-4219567-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1980-08-26 US disclosed
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US disclosed