SCHEMBL8949220

SCHEMBL8949220

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ncc(C(=O)O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
HPGDS O60760 1/20 0.43
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
GCK P35557 1/20 0.41
MASP2 O00187 1/20 0.41
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PLAU P00749 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8407251 0.87 SRD5A2 (0.48) ROCK2MAP4K4NR4A1NR4A2NR4A3
SCHEMBL5845871 0.86 NR4A1 (0.51) NR4A1NR4A2NR4A3MASP2POLB
SCHEMBL7276193 0.82 LMNA (0.55) ROCK2MASP2PPARAMEN1KMT2A
SCHEMBL10942377 0.81 LMNA (0.59) MASP2POLBPPARGPPARAPLAU
SCHEMBL7450597 0.79 CTRB1 (0.49) MASP2POLBPPARGPPARAPLAU
SCHEMBL549257 0.79 NQO2 (0.46) MASP2PPARGPPARAPLAUATM
SCHEMBL5845968 0.79 PLAU (0.42) POLBP2RX7PPARGPPARAPLAU
SCHEMBL8948980 0.78 HDAC3 (0.38) MASP2LMNA
SCHEMBL8363489 0.78 NPC1 (0.50) MASP2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7442011 0.78 ALDH1A1 (0.50) MASP2POLBPPARGPPARAPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed