SCHEMBL9526183

SCHEMBL9526183

COC(=O)c1cc2cc(C=O)c3ccccc3c2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.55
ALDH1A1 P00352 8/20 0.55
ERN1 O75460 2/20 0.42
KDM4E B2RXH2 10/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 4/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL9524639 0.80 HPGD (0.49) HPGDALDH1A1ERN1KDM4EMAPT
SCHEMBL9524934 0.79 ALDH1A1 (0.66) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL27252558 0.72 ERN1 (0.46) HPGDALDH1A1ERN1KDM4ENPC1
SCHEMBL27297693 0.72 ERN1 (0.46) HPGDALDH1A1ERN1KDM4ENPC1
SCHEMBL10080788 0.72 HCRTR1 (0.49) ALDH1A1ERN1MCL1LMNAALOX15
SCHEMBL9431255 0.70 HDAC3 (0.49) HPGDALDH1A1ERN1KDM4EMAPT
SCHEMBL3272215 0.70 ERN1 (0.50) HPGDALDH1A1ERN1KDM4EMCL1
SCHEMBL9978633 0.69 MCL1 (0.59) HPGDALDH1A1ERN1KDM4EMAPT
SCHEMBL27254504 0.69 HPGD (0.43) HPGDALDH1A1ERN1KDM4EMAPT
SCHEMBL27252553 0.69 HPGD (0.43) HPGDALDH1A1ERN1KDM4EMAPT

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-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