SCHEMBL9536368

SCHEMBL9536368

CCn1c2ccccc2c2cc3cccc(CNC(C)(CO)CO)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 5/20 0.41
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPY5R Q15761 3/20 0.40
SLC2A1 P11166 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DNM1 Q05193 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 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
SCHEMBL9538335 0.96 SLC2A1 (0.46) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL9538345 0.88 RORC (0.38) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL10488864 0.80 SLC2A1 (0.46) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL9537938 0.80 NPY5R (0.39) MAPTLMNAKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10488204 0.79 SLC2A1 (0.45) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL9779037 0.79 SLC2A1 (0.40) MAPTLMNAKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL9778907 0.78 SLC2A1 (0.39) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL9537186 0.78 SLC2A1 (0.42) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL10685652 0.75 SLC2A1 (0.42) MAPTKMT2AMEN1MAPK1HPGD
SCHEMBL10488906 0.75 SLC2A1 (0.42) MAPTLMNAKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP claimed
EP-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP disclosed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4952597-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-08-28 US disclosed
US-4918101-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-04-17 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed
US-4873258-A Benzo[c] carbazole propanediol containing anti tumor compositions and use BURROUGHS WELLCOME CO. (US) 1989-10-10 US disclosed
US-4855453-A Tetracyclic thiophene derivatives BURROUGHS WELLCOME CO. (US) 1989-08-08 US disclosed
US-4797495-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS BURROUGHS WELLCOME CO. (US) 1989-01-10 US disclosed
EP-0182608-A2 Polycyclic compounds, their preparation and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-28 EP disclosed