SCHEMBL8536893

SCHEMBL8536893

CCOC(=O)C1=Nc2cc3c(c(C)c2=C1C)-c1ccccc1N=3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HIF1A Q16665 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HTT P42858 1/20 0.52
FGB P02675 1/20 0.45
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39

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
SCHEMBL8537449 0.84 LMNA (0.34) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL8910413 0.84 FGB (0.41) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL8911552 0.76 SMN1; SMN2 (0.36) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL8150303 0.74 MAPT (0.41) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL4738113 0.73 MAPT (0.66) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL7963227 0.72 LMNA (0.36) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL7966334 0.71 KDM4E (0.36) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL9434365 0.70 FGB (0.42) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL2806738 0.69 MAPT (1.00) MAPTLMNASMN1; SMN2HIF1AHSP90AA1
SCHEMBL2350732 0.69 MAPT (1.00) MAPTLMNASMN1; SMN2HIF1AHSP90AA1

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
US-5770598-A ANTITUMOR AGENTS; REACTING WITH CARBONYL DIIMIDAZOLE AND AMIDOXIMES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-06-23 US disclosed