SCHEMBL6690612

SCHEMBL6690612

COC(=O)c1cccc([N+](=O)[O-])c1-c1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
AR P10275 1/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 1/20 0.49
MAPK10 P53779 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL13133450 0.88 TSHR (0.56) ALDH1A1TDP1ARKMT2AMAPT
SCHEMBL14933431 0.84 TSHR (0.56) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2
SCHEMBL7481393 0.83 TSHR (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL13983170 0.82 SLC6A3 (0.48) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2
SCHEMBL13982691 0.82 KMT2A (0.52) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2
SCHEMBL6639522 0.81 PDK2 (0.48) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2
SCHEMBL16719902 0.81 TSHR (0.53) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2
SCHEMBL6312362 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL8076951 0.79 L3MBTL1 (0.62) ALDH1A1TDP1ARKMT2ASMN1; SMN2
SCHEMBL1340341 0.79 L3MBTL1 (0.58) ALDH1A1TDP1ARKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP claimed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed