SCHEMBL7107437

SCHEMBL7107437

O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.67
▸ EPHX2 P34913 1/20 0.67
▸ MGLL Q99685 10/20 0.63
▸ MMP2 P08253 1/20 0.62
▸ MMP9 P14780 1/20 0.62
▸ MMP8 P22894 1/20 0.62
▸ MMP13 P45452 1/20 0.62
▸ TP53 P04637 2/20 0.61
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL2243918 0.95 FAAH (0.69) FAAHEPHX2MGLLMMP2MMP9
SCHEMBL27451203 0.85 KCNK2 (0.77) FAAHTP53KDM4EALDH1A1RAB9A
SCHEMBL27452503 0.83 TP53 (0.58) FAAHEPHX2MGLLMMP2MMP9
SCHEMBL2245499 0.83 NPC1 (0.73) FAAHEPHX2MGLLMMP2MMP9
SCHEMBL27452500 0.82 KCNK2 (0.59) FAAHEPHX2MGLLMMP2MMP9
Hydrochloric Acid SCHEMBL7106247 0.81 MGLL (0.67) MGLLMMP2MMP9MMP8MMP13
SCHEMBL20379246 0.80 MMP2 (0.78) MGLLMMP2MMP9MMP8MMP13
SCHEMBL6227837 0.80 GAA (0.68) TP53KDM4EALDH1A1RAB9APOLB
SCHEMBL27452647 0.80 FAAH (0.58) FAAHEPHX2MGLLMMP2MMP9
SCHEMBL27452587 0.80 FAAH (0.58) FAAHEPHX2MGLLMMP2MMP9

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-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 — — EP claimed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 — — EP claimed
EP-0812319-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-12-17 — — EP claimed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 — — WO claimed
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 — — EP disclosed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 — — EP disclosed
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 — — US disclosed
EP-0812319-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-12-17 — — EP disclosed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 — — WO disclosed
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