SCHEMBL28086396

SCHEMBL28086396

Cc1ccc2nc(F)cc(N)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ACHE P22303 5/20 0.44
BCHE P06276 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
HIF1A Q16665 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
NCK1 P16333 1/20 0.43
BACE1 P56817 1/20 0.43
ELANE P08246 2/20 0.42
NCF1 P14598 1/20 0.42
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5456804 0.81 BACE1 (0.55) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL438604 0.81 NCF1 (0.63) LMNANCF1ALDH1A1CASP1CASP7
SCHEMBL20247527 0.81 KMT2A (0.51) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL27588454 0.77 HSD17B10 (0.49) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL8234615 0.77 ADRB2 (0.55) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL27293402 0.75 NCF1 (0.60) LMNAACHESMN1; SMN2POLBHTT
SCHEMBL8150490 0.71 ALDH1A1 (0.47) LMNAACHESMN1; SMN2NCK1BACE1
SCHEMBL439684 0.70 NCF1 (0.59) ACHEBCHEGRIN1GRIN2ANCF1
SCHEMBL8306581 0.69 NR4A2 (0.61) LMNASMN1; SMN2HTTHIF1ANCK1
SCHEMBL6679745 0.69 HRH4 (0.58) HRH4ADORA2A

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
CN-103717589-B For treating or prevent the compound of respiratory syncytial virus disease 弗·哈夫曼-拉罗切有限公司 2016-08-17 CN disclosed