SCHEMBL6964940

SCHEMBL6964940

CCOc1cc(F)c(CCNC(=S)Nc2ncc[nH]2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
PTGES O14684 5/20 0.37
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
QPCT Q16769 2/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
NAMPT P43490 1/20 0.33
ALPI P09923 1/20 0.33
MDM2 Q00987 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL6964342 0.90 MAPT (0.41) KMT2APTGESMAPTLMNAGAA
SCHEMBL6954180 0.83 PTGES (0.38) KMT2APTGESMAPTLMNAGAA
SCHEMBL6950698 0.82 KMT2A (0.42) KMT2APKMPTGESMAPTLMNA
SCHEMBL6957231 0.82 KMT2A (0.47) KMT2APKMPTGESMAPTLMNA
SCHEMBL6954353 0.81 RAB9A (0.42) KMT2APTGESMAPTLMNASMN1; SMN2
SCHEMBL6959064 0.79 SMN1; SMN2 (0.48) KMT2APKMMAPTLMNAGAA
SCHEMBL6950496 0.78 RAB9A (0.45) KMT2APKMMAPTLMNAGAA
SCHEMBL6963787 0.78 ALOX12 (0.56) KMT2APKMMAPTLMNAGAA
SCHEMBL6965853 0.76 KMT2A (0.41) KMT2AMAPTLMNAGAASMN1; SMN2
SCHEMBL6962193 0.76 GAA (0.44) KMT2APKMMAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed