SCHEMBL8023982

SCHEMBL8023982

Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2Br)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.68
MAPT P10636 8/20 0.63
NPSR1 Q6W5P4 3/20 0.58
TSHR P16473 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 1/20 0.54
PDE6D O43924 1/20 0.51
ALDH2 P05091 1/20 0.51
ALDH3A1 P30838 1/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.47
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29949283 0.88 TP53 (0.70) TP53MAPTNPSR1TSHRLMNA
SCHEMBL23120167 0.88 TP53 (0.70) TP53MAPTNPSR1TSHRLMNA
SCHEMBL8011277 0.87 TP53 (0.52) TP53MAPTNPSR1TSHRLMNA
SCHEMBL8022017 0.85 TP53 (0.72) TP53MAPTTSHRLMNAGAA
SCHEMBL8022210 0.85 TP53 (0.68) TP53MAPTNPSR1TSHRLMNA
SCHEMBL23132011 0.84 MAPT (0.55) TP53MAPTNPSR1TSHRLMNA
SCHEMBL29412044 0.81 TP53 (1.00) TP53MAPTNPSR1TSHRLMNA
SCHEMBL8023335 0.80 KDM4E (0.56) TP53MAPTNPSR1TSHRLMNA
SCHEMBL7396158 0.80 TSHR (0.58) TP53MAPTNPSR1TSHRLMNA
SCHEMBL8011200 0.79 DRD2 (0.45) TP53MAPTNPSR1TSHRLMNA

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