SCHEMBL8010092

SCHEMBL8010092

CCCCCCCCCCCCCCCCOCCC#Cc1ccc(-c2cccs2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 4/20 0.35
ADORA2B P29275 1/20 0.35
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA1 P30542 2/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL498576 0.87 ADORA3 (0.44) DPP4ADORA3ADORA2AADORA2BLTA4H
SCHEMBL498785 0.86 DPP4 (0.51) DPP4ADORA3ADORA2AADORA2BLTA4H
SCHEMBL498743 0.85 ADORA3 (0.46) DPP4ADORA3ADORA2AADORA2BLTA4H
SCHEMBL8574108 0.79 DPP4 (0.37) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL8576281 0.78 DPP4 (0.39) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL4738045 0.76 DPP4 (0.50) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL8576286 0.75 DPP4 (0.39) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL13139113 0.74 KCNH2 (0.46) DPP4KCNH2
SCHEMBL13139110 0.74 KCNH2 (0.46) DPP4KCNH2
SCHEMBL498431 0.74 DPP4 (0.46) DPP4LTA4HALDH1A1KDM4ENPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007035-A4 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-11-22 EP disclosed
EP-1007035-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-06-14 EP disclosed
WO-1998023269-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 1998-06-04 WO disclosed
US-5753692-A PLANT EXTRACTS, IMMUNOSTIMULANTS TREATING IMMUNODEFICIENCY DISEASES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-19 US disclosed
US-5747525-A ANTITUMOR AGENTS OF OLIGOMERS OF THIOPHENE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-05 US disclosed
US-5741811-A ADMINISTERING TO CANCER PATIENTS PURDUE RESEARCH FOUNDATION (US) 1998-04-21 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 US disclosed
US-5578636-A Polythiophene anti-tumor agents PURDUE RESEARCH FOUNDATION (US) 1996-11-26 US disclosed