SCHEMBL20012409

SCHEMBL20012409

Cc1c(C2CCOCC2)nc(-c2ccncc2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
WNT3A P56704 7/20 0.41
TNKS2 Q9H2K2 7/20 0.41
GRIA1 P42261 3/20 0.40
GRIA2 P42262 3/20 0.40
GRIA3 P42263 3/20 0.40
GRIA4 P48058 3/20 0.40
TMIGD3 P0DMS9 1/20 0.40
ADORA1 P30542 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 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
SCHEMBL19996050 0.85 HPGD (0.41) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20012186 0.85 HPGD (0.41) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20012418 0.85 HPGD (0.41) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20011964 0.85 HPGD (0.41) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20012245 0.81 TNKS2 (0.44) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20012277 0.81 ALDH1A1 (0.43) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20011826 0.78 WNT3A (0.39) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL20154080 0.74 DAO (0.33)
SCHEMBL20011967 0.74 GSK3B (0.51) HPGDALDH1A1HSD17B10MAPTALOX15
SCHEMBL19995232 0.71 GRIA1 (0.40) HPGDALDH1A1HSD17B10MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO disclosed