SCHEMBL8022017

SCHEMBL8022017

Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.72
MAPT P10636 5/20 0.63
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
TNF P01375 3/20 0.58
NOD2 Q9HC29 2/20 0.58
NOD1 Q9Y239 2/20 0.58
TDP1 Q9NUW8 1/20 0.56
ALOX5AP P20292 1/20 0.56
GAA P10253 1/20 0.55
PDE6D O43924 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.51

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
SCHEMBL8025719 0.89 TP53 (0.67) TP53MAPTALDH1A1KDM4EALOX5AP
SCHEMBL8022230 0.88 TP53 (0.74) TP53MAPTALDH1A1KDM4EALOX5AP
SCHEMBL8022210 0.85 TP53 (0.68) TP53MAPTALDH1A1KDM4EGAA
SCHEMBL8023982 0.85 TP53 (0.68) TP53MAPTALDH1A1GAAPDE6D
SCHEMBL29412044 0.84 TP53 (1.00) TP53MAPTALDH1A1KDM4ETNF
SCHEMBL8022045 0.83 TP53 (0.82) TP53MAPTALDH1A1KDM4ETNF
SCHEMBL8021682 0.82 TP53 (0.77) TP53MAPTALDH1A1KDM4EGAA
SCHEMBL8027160 0.81 TP53 (0.83) TP53MAPTALDH1A1KDM4EPDE6D
SCHEMBL8024166 0.80 KDM4E (0.56) TP53MAPTALDH1A1KDM4ETNF
SCHEMBL28322549 0.80 MAPT (0.66) TP53MAPTALDH1A1KDM4ETNF

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