SCHEMBL6964188

SCHEMBL6964188

Cc1cccc(CCNC(=O)NSc2nc3ccccc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.51
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 1/20 0.48
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RECQL P46063 1/20 0.46
CNR1 P21554 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
AR P10275 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6962998 0.88 NPC1 (0.47) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL6952292 0.88 LMNA (0.53) LMNASMN1; SMN2NTRK1NTRK2NPC1
SCHEMBL6961502 0.87 NPC1 (0.58) LMNASMN1; SMN2NTRK1NPC1RAB9A
SCHEMBL6950919 0.85 LMNA (0.45) LMNASMN1; SMN2RECQLHTTMAPT
SCHEMBL6957950 0.83 LMNA (0.50) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL8890569 0.82 KMT2A (0.55) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL6958136 0.82 SMN1; SMN2 (0.53) MPOLMNASMN1; SMN2MAPK1NPC1
SCHEMBL6957933 0.81 KMT2A (0.56) LMNASMN1; SMN2NTRK1NPC1RAB9A
SCHEMBL6954596 0.80 RAB9A (0.53) LMNASMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6963530 0.80 HTT (0.44) LMNASMN1; SMN2HTTALDH1A1KMT2A

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 5 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-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