SCHEMBL8715797

SCHEMBL8715797

N=C(N)Nc1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.54
PIM2 Q9P1W9 4/20 0.50
TP53 P04637 3/20 0.48
LMNA P02545 1/20 0.48
CSNK2A1 P68400 3/20 0.47
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A3 Q8NEV1 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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 SCHEMBL8712778 0.98 PIM1 (0.53) PIM1PIM2TP53LMNACSNK2A1
SCHEMBL13853582 0.86 PIM1 (0.58) PIM1PIM2TP53LMNACSNK2A1
SCHEMBL7834019 0.83 PIM1 (0.55) PIM1PIM2TP53LMNACSNK2A1
SCHEMBL8713276 0.80 RAB9A (0.52) NPC1RAB9AHSD17B10MAPTTSHR
SCHEMBL6176302 0.78 PIM1 (0.54) PIM1PIM2TP53LMNACSNK2A1
SCHEMBL8713417 0.77 KMT2A (0.48) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9317607 0.77 ALDH1A1 (0.61) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8713204 0.76 TPSAB1 (0.62) PIM1PIM2
SCHEMBL22272526 0.76 CA12 (0.51) PIM1PIM2TP53LMNACSNK2A1
SCHEMBL16396833 0.75 MMP2 (0.53) PIM1PIM2TP53LMNACSNK2A1

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed