SCHEMBL8024676

SCHEMBL8024676

COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
MAPT P10636 5/20 0.63
ALDH1A1 P00352 5/20 0.63
ABCB1 P08183 6/20 0.60
ABCC1 P33527 3/20 0.60
POLB P06746 2/20 0.58
GAA P10253 2/20 0.56
ALOX5 P09917 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MCL1 Q07820 2/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
GFER P55789 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL4354296 0.86 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL29066067 0.83 ABCB1 (0.68) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL6348516 0.80 ABCB1 (0.68) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL9497852 0.80 ALDH1A1 (0.75) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL6720216 0.79 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL8010707 0.78 ABCB1 (0.77) MEN1KMT2AALDH1A1ABCB1ABCC1
SCHEMBL11194941 0.78 AURKB (0.62) MEN1KMT2AMAPTPOLBGAA
SCHEMBL17512379 0.78 ALDH1A1 (0.75) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL14824413 0.78 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1ABCB1
SCHEMBL7213151 0.77 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed