SCHEMBL8024183

SCHEMBL8024183

COc1cc(-c2nc3ccccc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 3/20 0.50
ALDH1A1 P00352 5/20 0.49
TP53 P04637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5AP P20292 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8024804 0.89 MEN1 (0.46) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8021478 0.87 KDM4E (0.70) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8021964 0.86 TP53 (0.66) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8024179 0.85 KDM4E (0.58) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8010677 0.84 KDM4E (0.56) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8023335 0.84 KDM4E (0.56) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8024166 0.84 KDM4E (0.56) KDM4ELMNAHTTNPSR1GAA
SCHEMBL8023867 0.83 DRD2 (0.41) KDM4ELMNAHTTNPSR1ALDH1A1
SCHEMBL8023740 0.82 DRD2 (0.46) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL8020993 0.81 ALOX5AP (0.39) KDM4ELMNAHTTNPSR1ALDH1A1

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