SCHEMBL6963213

SCHEMBL6963213

CCOc1cccc(F)c1CCNC(=S)Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
ALOX12 P18054 4/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.54
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.48
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACHE P22303 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
QPCT Q16769 1/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
GRM5 P41594 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
SCHEMBL6962081 0.90 POLB (0.58) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL6959599 0.88 ALDH1A1 (0.54) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL6953648 0.87 ALDH1A1 (0.67) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL2792582 0.84 ALDH1A1 (0.56) ALDH1A1ALOX12RAB9APOLBKMT2A
SCHEMBL6963787 0.83 ALOX12 (0.56) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL6957655 0.83 ALDH1A1 (0.61) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL6953259 0.82 ALDH1A1 (0.60) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL8887023 0.82 KMT2A (0.44) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL6964410 0.82 POLB (0.64) ALDH1A1ALOX12RAB9APOLBKDM4E
SCHEMBL6957231 0.81 KMT2A (0.47) ALDH1A1RAB9APOLBKMT2APKM

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