SCHEMBL10376804

SCHEMBL10376804

O=C(OCc1ccccc1)Oc1ccncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 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
SCHEMBL6648870 0.78 NAMPT (0.43) KMT2AHSD17B10LMNAALDH1A1
SCHEMBL7697845 0.77 ABCB1 (0.46) HTTTDP1LMNACYP2D6GRIN2B
SCHEMBL9197472 0.77 KMT2A (0.56) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL28758529 0.76 ALPI (0.47)
SCHEMBL6236586 0.76 TDP1 (0.54) KMT2APOLBTDP1LMNACYP3A4
SCHEMBL8782175 0.75 KMT2A (0.54) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9663709 0.75 CYP19A1 (0.61) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL10377969 0.75 TSHR (0.39) TDP1LMNAALDH1A1L3MBTL1TSHR
Carbamic Acid SCHEMBL9362680 0.75 KMT2A (0.57) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL10377649 0.75 TSHR (0.39) KMT2AHTTGFERCYP3A4CYP2D6

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-0189045-B1 PYRIDOPYRIMIDINES, DIFFERENT PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE AS MEDICAMENTS BAYER AG (DE) 1990-02-14 EP disclosed