SCHEMBL8947138

SCHEMBL8947138

CC(C(=O)O)n1nnnc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
HSD11B1 P28845 1/20 0.44
TSHR P16473 2/20 0.44
MGLL Q99685 1/20 0.44
ALOX15 P16050 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9469004 0.84 TDP1 (0.42) KMT2AKDM4EALDH1A1TDP1MGLL
SCHEMBL8947258 0.84 MAPT (0.55) KMT2AKDM4EALDH1A1TDP1HSD11B1
SCHEMBL4407210 0.81 TDP1 (0.65) KMT2AALDH1A1TDP1TSHRALOX15
SCHEMBL9469693 0.79 KDM4E (0.46) KMT2AKDM4EALDH1A1
SCHEMBL9689439 0.78 KDM4E (0.45) KMT2AKDM4EALDH1A1MGLLHDAC6
SCHEMBL9690579 0.78 KDM4E (0.45) KMT2AKDM4EALDH1A1MGLLPTGS2
SCHEMBL9688900 0.76 KDM4E (0.41) KDM4EALDH1A1ALOX15HDAC6PTGS2
SCHEMBL9690573 0.76 KDM4E (0.43) KMT2AKDM4EALDH1A1TSHRALOX15
SCHEMBL9689433 0.76 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1HSD11B1TSHR
SCHEMBL9688569 0.76 KDM4E (0.43) KMT2AKDM4EALDH1A1MGLLHDAC6

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