SCHEMBL6959347

SCHEMBL6959347

CC=CCC(C)NC(=S)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PKM P14618 2/20 0.48

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
SCHEMBL6958510 0.81 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6955481 0.80 KMT2A (0.55) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10697632 0.72 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6959240 0.72 NPC1 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6953508 0.72 HTT (0.45) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6962605 0.72 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6962738 0.72 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7998302 0.71 MAPK1 (0.63) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6963088 0.71 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6962436 0.70 SMN1; SMN2 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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-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