SCHEMBL28098162

SCHEMBL28098162

CCC(=O)c1cc(F)c2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
MAPT P10636 4/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
PLK1 P53350 1/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL22428829 0.86 HTR7 (0.47) PDE4ATSHRNPC1RAB9AKMT2A
SCHEMBL29363167 0.86 HTR7 (0.47) PDE4ATSHRNPC1RAB9AKMT2A
SCHEMBL29870758 0.83 KMT2A (0.44) PDE4AMAPTMGLLALDH1A1HTT
SCHEMBL23904838 0.82 CA12 (0.46) PDE4AMAPTALDH1A1HPGDHTT
SCHEMBL1223701 0.81 PDE4A (0.47) PDE4AMAPTALDH1A1HTTLMNA
SCHEMBL30419944 0.80 PARP1 (0.50) PDE4AMAPTMGLLALDH1A1HTT
SCHEMBL27976330 0.80 KMT2A (0.52) MAPTALDH1A1HPGDHTTLMNA
SCHEMBL17442599 0.79 ALOX15 (0.58) MAPTALDH1A1HTTALOX15L3MBTL1
SCHEMBL24735857 0.78 HSP90AA1 (0.60) PDE4AMAPTALDH1A1HTTLMNA
SCHEMBL24421991 0.78 SMN1; SMN2 (0.51) MAPTALDH1A1HPGDTSHRHTT

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-105968115-A Quinoline compounds and preparation method thereof, and intermediate, pharmaceutical composition and application of quinoline compounds 上海医药集团股份有限公司 2016-09-28 CN disclosed