SCHEMBL9486236

SCHEMBL9486236

CCCCc1c(C(=O)c2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 3/20 0.53
MAPT P10636 5/20 0.46
F2RL3 Q96RI0 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
F2R P25116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.43
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9485957 0.89 OXER1 (0.51) OXER1MAPTF2RL3MEN1KMT2A
SCHEMBL9485983 0.85 OXER1 (0.50) OXER1MAPTF2RL3MEN1KMT2A
SCHEMBL9486757 0.84 MAPT (0.53) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL9486713 0.83 OXER1 (0.46) OXER1TP53
Hydrochloric Acid SCHEMBL9485980 0.82 OXER1 (0.45) OXER1TP53
SCHEMBL9486050 0.75 CNR2 (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9486113 0.75 KCNH2 (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL282873 0.75 EYA3 (0.65) LMNAHTT
SCHEMBL29464057 0.75 EYA3 (0.65) LMNAHTT
SCHEMBL9486871 0.73 MAPT (0.53) MAPTLMNASMN1; SMN2NPSR1TP53

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-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed