SCHEMBL8537449

SCHEMBL8537449

CC1=c2c(cc3c(c2C)-c2ccccc2N=3)N=C1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MYC P01106 1/20 0.31
TTR P02766 2/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8911745 0.69 MAPT (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8363308 0.66 TDP1 (0.34) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL17583241 0.65 KDM4C (0.32) MAPTHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL27848261 0.65 MAPT (0.46) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL6651141 0.64 MAPT (0.38) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL7966091 0.63
SCHEMBL9057850 0.62 MYC (0.36) MYCTTR
SCHEMBL5812357 0.61 MAPT (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL18862390 0.61 ACHE (0.30)
SCHEMBL9959991 0.59 IDO1 (0.39) LMNAHSP90AA1MAPTHTTSMN1; SMN2

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