SCHEMBL18855846

SCHEMBL18855846

CNCc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALDH3A1 P30838 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NOD1 Q9Y239 1/20 0.40
RAPGEF4 Q8WZA2 2/20 0.39
BRD4 O60885 2/20 0.38
MET P08581 1/20 0.37
PKM P14618 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.35
TSHR P16473 1/20 0.35
EED O75530 1/20 0.35
HTR6 P50406 3/20 0.34

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
SCHEMBL20684438 0.89 L3MBTL1 (0.48) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL2318672 0.87 L3MBTL1 (0.46) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL2317967 0.87 L3MBTL1 (0.46) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL18855958 0.86 L3MBTL1 (0.46) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL2359779 0.85 L3MBTL1 (0.45) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL1934188 0.85 L3MBTL1 (0.51) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL13579594 0.85 L3MBTL1 (0.51) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL1536777 0.85 L3MBTL1 (0.51) L3MBTL1ALDH3A1POLBHTTNOD1
Hydrochloric Acid SCHEMBL1536094 0.84 L3MBTL1 (0.50) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL1536172 0.83 L3MBTL1 (0.49) L3MBTL1ALDH3A1POLBHTTNOD1

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
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed