SCHEMBL11028173

SCHEMBL11028173

CCC(C)(C)C1CCC(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
LMNA P02545 6/20 0.42
TDP1 Q9NUW8 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 4/20 0.42
MITF O75030 3/20 0.42
USP2 O75604 2/20 0.42
POLB P06746 1/20 0.42
TDP2 O95551 2/20 0.40
PAX8 Q06710 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TLR9 Q9NR96 1/20 0.40
IDO1 P14902 1/20 0.40
DNMT1 P26358 1/20 0.40
DNMT3L Q9UJW3 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
MAPK1 P28482 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 5/20 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
SCHEMBL9856931 0.86 CDC25B (0.46) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL917110 0.86 CDC25B (0.46) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL8444855 0.84 CDC25B (0.45) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL11057934 0.78 IDO1 (0.40) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL11120217 0.75 IDO1 (0.52) MAPTLMNAALDH1A1HTTMITF
SCHEMBL916442 0.75 IDO1 (0.52) MAPTLMNAALDH1A1HTTMITF
SCHEMBL9682118 0.74 IDO1 (0.44) MAPTLMNATDP1ALDH1A1HTT
SCHEMBL1542662 0.73 KMT2A (0.68) MAPTLMNAALDH1A1HTTUSP2
SCHEMBL917397 0.73 KMT2A (0.68) MAPTLMNAALDH1A1HTTUSP2
SCHEMBL12589641 0.73 KMT2A (0.68) MAPTLMNAALDH1A1HTTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077551-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-06-12 EP disclosed
US-4485117-A ANTIMALARIAL AND ANTICOCCIDIAL; HYDROXYNAPHTHOQUINONES BURROUGHS WELLCOME CO., A CORP OF NORTH CAROLINA 1984-11-27 US disclosed
EP-0077551-A2 1.4-Naphthoquinones, methods for their preparation, pharmaceutical and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP disclosed