SCHEMBL6962998

SCHEMBL6962998

O=C(NCCc1cccc(F)c1)NSc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.46
MTOR P42345 1/20 0.45
LMNA P02545 3/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL6964188 0.88 MPO (0.51) NPC1KMT2ACNR1LMNARAB9A
SCHEMBL6952292 0.88 LMNA (0.53) NPC1KMT2ACNR1LMNARAB9A
SCHEMBL6950919 0.85 LMNA (0.45) KMT2ALMNASMN1; SMN2RECQLMAPT
SCHEMBL6961502 0.85 NPC1 (0.58) NPC1KMT2ACNR1LMNARAB9A
SCHEMBL6954596 0.84 RAB9A (0.53) NPC1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL6957950 0.83 LMNA (0.50) NPC1KMT2ACNR1LMNARAB9A
SCHEMBL6958429 0.82 POLB (0.45) NPC1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL8890569 0.82 KMT2A (0.55) NPC1KMT2ACNR1LMNARAB9A
SCHEMBL6957395 0.82 MAPK1 (0.53) NPC1KMT2ACNR1LMNARAB9A
SCHEMBL6963530 0.80 HTT (0.44) KMT2ALMNASMN1; SMN2CYP1A2CYP3A4

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