SCHEMBL11047770

SCHEMBL11047770

CCOc1ccc2nc3cc(N)cc(N)c3cc2c1CC(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TERT O14746 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 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
SCHEMBL1228387 0.82 MEN1 (0.58) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL11226201 0.77 HSD17B10 (0.49) MEN1KMT2AHSD17B10KDM4EALDH1A1
Lactic Acid SCHEMBL11226196 0.75 HSD17B10 (0.68) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL10886126 0.70 TLR8 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL10885463 0.70 TLR8 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL20856778 0.67 KMT2A (0.59) MEN1KMT2AHSD17B10KDM4EALDH1A1
Lactic Acid SCHEMBL11262321 0.65 KDM4E (0.66) MEN1KMT2AHSD17B10KDM4EALDH1A1
Ethacridine SCHEMBL31197660 0.65 MEN1 (1.00) MEN1KMT2AHSD17B10KDM4EALDH1A1
Ethacridine SCHEMBL30775016 0.65 MEN1 (1.00) MEN1KMT2AHSD17B10KDM4EALDH1A1
Ethacridine SCHEMBL30006678 0.65 MEN1 (1.00) MEN1KMT2AHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060491-B1 PROTEIN PP16, PROCESS FOR CONCENTRATING AND ISOLATING IT, AND ITS USE BEHRINGWERKE Aktiengesellschaft (DE) 1985-06-12 EP disclosed