SCHEMBL9536376

SCHEMBL9536376

CCn1c2ccccc2c2cc3cccc(N(C)C(C)(CO)CO)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPY5R Q15761 2/20 0.40
LMNA P02545 5/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
PTGER4 P35408 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPY2R P49146 1/20 0.37

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
SCHEMBL9538342 0.87 MAPT (0.37) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL9537944 0.79 ALDH1A1 (0.38) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL9536368 0.74 MAPT (0.41) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL9779030 0.73 MAPT (0.53) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL11154440 0.72 MAPT (0.62) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL13979310 0.72 KDM4E (0.70) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL9538335 0.71 SLC2A1 (0.46) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL19986154 0.71 MAPT (0.64) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL14422842 0.70 KDM4E (0.58) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL9538002 0.69 KDM4E (0.48) KDM4EMAPTMEN1KMT2AHTT

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 7 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 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-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