SCHEMBL10429575

SCHEMBL10429575

CCOC(=O)c1c(C)n(C)c2nc(C)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.48
TSHR P16473 5/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
ABCC4 O15439 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL8141322 0.80 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL11075024 0.79 L3MBTL1 (0.49) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL25941699 0.77 KMT2A (0.47) ALDH1A1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL11788500 0.76 KMT2A (0.62) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL5871944 0.75 MEN1 (0.58) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL11166526 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL25205865 0.74 KMT2A (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL29367154 0.74 KMT2A (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL11789908 0.74 SMN1; SMN2 (0.79) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL10997957 0.74 SMN1; SMN2 (0.58) ALDH1A1KMT2AKDM4EMEN1LMNA

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
JP-2117664-A None JP disclosed
JP-H02117664-A 4-PYRIDONE-3-CARBOXYLIC ACID AND ITS DERIVATIVE BAYER AG 1990-05-02 JP disclosed
US-RE32975-E FUNGICIDES, BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4284629-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed