SCHEMBL6958174

SCHEMBL6958174

Cc1ccccc1CCNC(=S)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
RAB9A P51151 6/20 0.67
ALOX12 P18054 4/20 0.67
KDM4E B2RXH2 4/20 0.61
POLB P06746 1/20 0.61
NPSR1 Q6W5P4 3/20 0.58
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 2/20 0.53
QPCT Q16769 1/20 0.53
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 2/20 0.50

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
SCHEMBL6964103 0.84 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6958529 0.84 ALDH1A1 (0.67) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6954647 0.83 POLB (0.64) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6957655 0.82 ALDH1A1 (0.61) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6957793 0.81 ALDH1A1 (0.76) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6952754 0.80 ALDH1A1 (1.00) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL6951326 0.80 ALDH1A1 (0.74) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL29352156 0.80 ALDH1A1 (1.00) ALDH1A1RAB9AALOX12KDM4EPOLB
SCHEMBL11488553 0.80 ALDH1A1 (0.71) ALDH1A1RAB9AALOX12KDM4EPOLB
Oxirane SCHEMBL6962679 0.79 ALDH1A1 (0.60) ALDH1A1RAB9AALOX12KDM4EPOLB

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-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 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