SCHEMBL8324651

SCHEMBL8324651

Cc1nc2n(CCc3ccccc3C(=O)O)cccc-2c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.41
CASR P41180 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SLC16A3 O15427 2/20 0.36
HTR2A P28223 1/20 0.35
HTR4 Q13639 1/20 0.35
PTGER1 P34995 1/20 0.35
MCL1 Q07820 1/20 0.35
BAD Q92934 1/20 0.35
MYC P01106 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8329544 0.76 KMT2A (0.45) CASRALDH1A1LMNAKDM4E
SCHEMBL8328742 0.75 MGAM (0.44) CASRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8327469 0.72 HTT (0.42) ALDH1A1KDM4EHPGD
Bromide SCHEMBL8330896 0.71 MAPT (0.40) LMNA
SCHEMBL8328067 0.68 RXFP1 (0.45) ALDH1A1LMNAHTR2AKDM4EHPGD
SCHEMBL11616192 0.68 FOLH1 (0.58) FOLH1ALDH1A1SLC16A3KDM4EHPGD
Bromide SCHEMBL8329933 0.68 ALDH1A1 (0.34) CASRALDH1A1LMNAKDM4EHPGD
SCHEMBL30365583 0.66 FOLH1 (0.76) FOLH1ALDH1A1SLC16A3KDM4EHPGD
SCHEMBL70392 0.66 FOLH1 (0.76) FOLH1ALDH1A1SLC16A3KDM4EHPGD
Bromide SCHEMBL8322724 0.66 CASR (0.40) CASRALDH1A1KDM4EHPGD

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
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed