SCHEMBL6964410

SCHEMBL6964410

COc1cccc(OC)c1CCNC(=S)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
RAB9A P51151 6/20 0.62
ALOX12 P18054 5/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
KDM4E B2RXH2 2/20 0.57
GAA P10253 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.53
NPC1 O15118 6/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACHE P22303 1/20 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
SCHEMBL6962081 0.92 POLB (0.58) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6954647 0.88 POLB (0.64) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6957993 0.84 POLB (0.57) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6963213 0.82 ALDH1A1 (0.55) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6959563 0.81 POLB (0.59) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6950317 0.81 ALDH1A1 (0.67) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6953648 0.81 ALDH1A1 (0.67) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6955375 0.80 SMN1; SMN2 (0.61) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6958165 0.80 SMN1; SMN2 (0.65) POLBRAB9AALOX12ALDH1A1SMN1; SMN2
SCHEMBL6964982 0.80 ALDH1A1 (0.74) POLBRAB9AALOX12ALDH1A1SMN1; 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