SCHEMBL8024166

SCHEMBL8024166

COc1cc(-c2nc3ccccc3n2Cc2ccccc2Cl)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.56
▸ HTT P42858 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ TP53 P04637 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ GAA P10253 2/20 0.53
▸ TNF P01375 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ NOD1 Q9Y239 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RECQL P46063 1/20 0.50

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
SCHEMBL8023183 0.90 NPSR1 (0.57) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8021478 0.90 KDM4E (0.70) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8021343 0.89 ALDH1A1 (0.53) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8024179 0.88 KDM4E (0.58) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8010677 0.86 KDM4E (0.56) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8021964 0.86 TP53 (0.66) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8023335 0.86 KDM4E (0.56) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8021582 0.86 ALDH1A1 (0.67) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8023171 0.85 TP53 (0.69) KDM4EHTTLMNANPSR1ALDH1A1
SCHEMBL8025359 0.84 KDM4E (0.62) KDM4EHTTLMNANPSR1ALDH1A1

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
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-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
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