SCHEMBL28293697

SCHEMBL28293697

COC(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.61
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
NUDT1 P36639 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 3/20 0.50
DCPS Q96C86 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
TSHR P16473 1/20 0.47
TNKS O95271 1/20 0.47
ADORA2A P29274 3/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL28342069 0.81 KDM4E (0.54) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL3088381 0.81 ADORA3 (0.66) ADORA3HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL31266735 0.81 KDM4E (0.57) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3075260 0.81 ADORA3 (0.70) ADORA3HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL3099398 0.80 ADORA3 (0.65) ADORA3HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL561316 0.80 ADORA3 (0.64) ADORA3HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL27890879 0.79 KMT2A (0.53) ADORA3ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL27668228 0.78 ADORA3 (0.58) ADORA3HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL8574356 0.78 HSD17B10 (0.55) ADORA3HSD17B10ALDH1A1HPGDMEN1
SCHEMBL16628837 0.78 ADORA3 (0.58) ADORA3HSD17B10ALDH1A1HPGDMEN1

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
CN-109652166-A A kind of volatility drawing oil free of cleaning and preparation method thereof 东莞市登喜达表面处理科技有限公司 2019-04-19 CN claimed
CN-109652166-B Volatile cleaning-free stretching oil and preparation method thereof 东莞市登喜达表面处理科技有限公司 2023-01-06 CN disclosed
CN-109652166-A A kind of volatility drawing oil free of cleaning and preparation method thereof 东莞市登喜达表面处理科技有限公司 2019-04-19 CN disclosed