SCHEMBL9538002

SCHEMBL9538002

CCn1c2ccccc2c2cc3cccc(C=O)c3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.48
HBB P68871 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGER4 P35408 3/20 0.47
LMNA P02545 5/20 0.46
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SRC P12931 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL27619336 0.83 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL9779030 0.80 MAPT (0.53) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL11154440 0.79 MAPT (0.62) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL13979310 0.79 KDM4E (0.70) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL19986154 0.77 MAPT (0.64) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL9986282 0.77 ALDH1A1 (0.54) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3057272 0.77 ALDH1A1 (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14422842 0.76 KDM4E (0.58) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL22166476 0.76 PSEN1 (0.54) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL28636870 0.75 KDM4E (0.61) KDM4EMAPTMEN1KMT2AALDH1A1

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 9 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-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