SCHEMBL9251552

SCHEMBL9251552

Cn1c(-c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)nc2c(C(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
DHODH Q02127 3/20 0.39
MASP2 O00187 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PLAU P00749 1/20 0.37
CHEK2 O96017 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ATM Q13315 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL505230 0.76 DHODH (0.63) PARP1DHODHHDAC1HDAC6CHEK2
SCHEMBL8407251 0.75 SRD5A2 (0.48) MASP2SMN1; SMN2KMT2A
SCHEMBL9251561 0.75 PARP1 (0.43) PARP1SMN1; SMN2PLAUL3MBTL1ALDH1A1
SCHEMBL8363489 0.74 NPC1 (0.50) MASP2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5845871 0.73 NR4A1 (0.51) MASP2SMN1; SMN2PLAUKMT2A
SCHEMBL7276193 0.73 LMNA (0.55) MASP2SMN1; SMN2KMT2A
SCHEMBL8949220 0.71 XDH (0.47) MASP2SMN1; SMN2PLAUATMKMT2A
SCHEMBL10942377 0.71 LMNA (0.59) MASP2SMN1; SMN2PLAUKMT2A
SCHEMBL7437216 0.71 ALDH1A1 (0.59) SMN1; SMN2ATML3MBTL1ALDH1A1KMT2A
SCHEMBL9247334 0.71 PTGDR2 (0.40) MASP2SMN1; SMN2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed