SCHEMBL4070770

SCHEMBL4070770

O=C(Cl)c1cn(-c2ccnc3ccccc23)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.41
EIF4H Q15056 2/20 0.41
RORC P51449 3/20 0.41
CYP2C9 P11712 1/20 0.40
PDE4A P27815 2/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
HTR3A P46098 2/20 0.39
AR P10275 1/20 0.39
NSD2 O96028 1/20 0.38
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
Hydrochloric Acid SCHEMBL4061080 0.99 RORC (0.41) PABPC1EIF4HRORCCYP2C9PDE4A
SCHEMBL4060642 0.88 RORC (0.45) PABPC1EIF4HRORCCYP2C9PDE4A
Hydrochloric Acid SCHEMBL4242731 0.84 ADRB2 (0.39) RORCCYP2C9ALDH1A1SMN1; SMN2MEN1
SCHEMBL4058546 0.84 ATM (0.53) PABPC1EIF4HRORCCYP2C9PDE4A
SCHEMBL6082085 0.82 PTGDR2 (0.44) ADRB2NCF1AR
Hydrochloric Acid SCHEMBL4063943 0.81 NCF1 (0.45) RORCCYP2C9PDE4AKCNH2LMNA
SCHEMBL4060771 0.80 PDE4A (0.40) PABPC1EIF4HPDE4AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL4239887 0.78 KCNH2 (0.40) KCNH2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4244244 0.78 PTGDR2 (0.45) RORCKCNH2HTTSMN1; SMN2MEN1
SCHEMBL4236166 0.78 RORC (0.39) RORCSMN1; SMN2MEN1KMT2AADRB2

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-1641791-B1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed