SCHEMBL7093901

SCHEMBL7093901

CC(CO)(CO)NCc1c2ccccc2cc2sccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
NPBWR1 P48145 1/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35
CD274 Q9NZQ7 1/20 0.33

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
Hydrochloric Acid SCHEMBL9526352 0.99 SLC2A1 (0.45) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9779008 0.88 SLC2A1 (0.45) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10928176 0.86 SLC2A1 (0.37) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10488406 0.85 HTR2A (0.43) SLC2A1NPBWR1KMT2AMCHR1CD274
Hydrochloric Acid SCHEMBL10488372 0.83 KMT2A (0.43) SLC2A1NPBWR1KMT2AMCHR1CD274
SCHEMBL9779226 0.83 SLC2A1 (0.53) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10348808 0.80 KMT2A (0.40) SLC2A1NPBWR1KMT2AMCHR1CD274
SCHEMBL9526583 0.79 SLC2A1 (0.56) SLC2A1CD274CSNK2A2CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL9526225 0.78 SLC2A1 (0.55) SLC2A1CD274CYP1A2LMNA
SCHEMBL10348864 0.77 KMT2A (0.41) SLC2A1NPBWR1KMT2AMCHR1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP claimed
EP-1093456-B1 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2003-12-17 EP disclosed
EP-0183439-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-02-03 EP disclosed
US-5075455-A Microbiocides, antitumor agents BURROUGHS WELLCOME CO. (US) 1991-12-24 US disclosed
US-5049581-A Dibenzofurans having anti-tumor activity BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
US-5017600-A Antitumor BURROUGHS WELLCOME CO. (US) 1991-05-21 US disclosed
US-5008286-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-04-16 US disclosed
US-4970227-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1990-11-13 US disclosed
US-4965285-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-10-23 US disclosed
US-4866070-A ANTITUMOR AGENT BURROUGHS WELLCOME CO. (US) 1989-09-12 US disclosed
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP disclosed