SCHEMBL6963948

SCHEMBL6963948

CCOc1ccccc1C1CC1NC(=S)Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALOX12 P18054 4/20 0.46
POLB P06746 1/20 0.44
GRM5 P41594 1/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL6958684 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTALOX12LMNA
SCHEMBL6957562 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTALOX12LMNA
SCHEMBL6957565 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTALOX12LMNA
SCHEMBL6958678 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTALOX12LMNA
SCHEMBL6963951 0.70 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTRXFP1ALOX12
SCHEMBL6957655 0.70 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTRXFP1ALOX12
SCHEMBL6907047 0.68 RAB9A (0.43) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL8685463 0.68 KDM1A (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5456563 0.67 RAB9A (0.75) ALDH1A1SMN1; SMN2MAPTALOX12LMNA
SCHEMBL2682040 0.67 RAB9A (0.71) ALDH1A1SMN1; SMN2MAPTALOX12LMNA

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