SCHEMBL9101066

SCHEMBL9101066

O=C(Oc1c[c]ncc1Cl)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 14/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 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
SCHEMBL9101583 0.83 KDM4E (0.46) HTTSMN1; SMN2NPSR1KMT2AMAPT
SCHEMBL9098665 0.83 KDM4E (0.46) HTTSMN1; SMN2NPSR1KMT2AMAPT
SCHEMBL9098225 0.83 KDM4E (0.46) HTTSMN1; SMN2NPSR1KMT2AMAPT
SCHEMBL9099844 0.78 KMT2A (0.46) SMN1; SMN2NPSR1KMT2AMAPTHSD17B10
SCHEMBL9670432 0.77 HTT (0.56) HTTSMN1; SMN2NPSR1KMT2AMAPT
SCHEMBL9097111 0.77 ESR1 (0.49) SMN1; SMN2NPSR1KMT2AMAPTPOLB
SCHEMBL9100123 0.74 KMT2A (0.48) HTTSMN1; SMN2NPSR1KMT2AMAPT
SCHEMBL9099837 0.73 KMT2A (0.44) HTTSMN1; SMN2NPSR1KMT2APOLB
SCHEMBL9099496 0.72 KDM4E (0.39) SMN1; SMN2NPSR1KMT2AMAPTKDM4E
SCHEMBL9098555 0.72 MAPT (0.50) SMN1; SMN2KMT2AMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed