SCHEMBL27420156

SCHEMBL27420156

C=CCc1cccc(C(N)=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 5/20 0.43
PARP1 P09874 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HSD17B10 Q99714 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
ADORA1 P30542 1/20 0.37
PTGS2 P35354 1/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL3092968 0.86 G6PD (0.50) GABRA1GABRB2KDM4EHDAC3HDAC1
Hydrochloric Acid SCHEMBL28469617 0.85 G6PD (0.49) GABRA1GABRB2KDM4EHDAC3HDAC1
SCHEMBL18426587 0.84 KDM4E (0.38) KDM4EPARP1HSD17B10ALDH1A1TSHR
SCHEMBL83923 0.84 KDM4E (0.50) GABRA1GABRB2KDM4EPARP1HDAC3
SCHEMBL8824319 0.83 GABRA1 (0.44) GABRA1GABRB2KDM4EPARP1HDAC3
SCHEMBL7870129 0.83 GABRA1 (0.44) GABRA1GABRB2KDM4EPARP1HDAC3
SCHEMBL12611132 0.83 GABRA1 (0.58) GABRA1GABRB2KDM4EPARP1HSD17B10
Ammonia Solution, Strong SCHEMBL4442413 0.82 KDM4E (0.49) GABRA1GABRB2KDM4EPARP1HDAC3
SCHEMBL28618628 0.81 GABRA1 (0.43) GABRA1GABRB2KDM4EPARP1HDAC3
SCHEMBL13506705 0.81 ABCB11 (0.52) MAPTABCB11LMNAPTGS1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110498878-A A kind of preparation method of fluorescent microsphere WUXI MAIKEWEI BIOTECHNOLOGY CO LTD 2019-11-26 CN disclosed
CN-105030569-A Dispersion composition and cosmetic material FUJIFILM CORP 2015-11-11 CN disclosed
CN-1105704-C Selected fungicides for control of take-all disease in plants MONSANTO CO (US) 2003-04-16 CN disclosed
CN-1147245-A Selected benzamide fungicides for control of take-all disease of plants MONSANTO CO (US) 1997-04-09 CN disclosed