SCHEMBL8947126

SCHEMBL8947126

COC(=O)Cn1nncc1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
VEGFA P15692 1/20 0.41
FLT1 P17948 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 3/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8947264 0.76 P2RX7 (0.49) P2RX7NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL27953930 0.73 P2RX7 (0.81) P2RX7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL17322839 0.72 KDM4E (0.69) KMT2AMAPTKDM4ESMN1; SMN2HPGD
SCHEMBL22154181 0.70 PTGS2 (0.43) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL14624106 0.70 HDAC1 (0.50) ALDH1A1LMNATSHRTP53CCNE1
SCHEMBL8269598 0.69 BACE1 (0.52) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8301498 0.69 P2RX7 (0.45) P2RX7NPC1RAB9AKMT2AMEN1
SCHEMBL8269585 0.68 BACE1 (0.55) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL27667439 0.68 PTGS2 (0.48) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL11036003 0.68 TP53 (0.55) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed