SCHEMBL8024804

SCHEMBL8024804

COc1cc(-c2nc3ccc(O)cc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KIF11 P52732 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.40
EPHX2 P34913 1/20 0.40
GLA P06280 1/20 0.40
DPP4 P27487 1/20 0.39
MIF P14174 2/20 0.39

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
SCHEMBL8024183 0.89 KDM4E (0.53) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8021605 0.85 KDM4E (0.46) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8025406 0.83 TP53 (0.49) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8023867 0.82 DRD2 (0.41) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8011134 0.82 TDP1 (0.39) MEN1KMT2ALMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8025351 0.82 KDM4E (0.53) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8023740 0.82 DRD2 (0.46) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL8020993 0.81 ALOX5AP (0.39) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8021659 0.80 ESR1 (0.49) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8027433 0.80 ALOX5AP (0.40) MEN1KMT2ALMNAALDH1A1KDM4E

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 4 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
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