SCHEMBL6958878

SCHEMBL6958878

S=C(NCCc1ccccc1)Nc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
ALOX12 P18054 5/20 0.74
LMNA P02545 5/20 0.74
ALDH1A1 P00352 3/20 0.74
MAPK1 P28482 2/20 0.73
PTPN7 P35236 1/20 0.73
DUSP3 P51452 1/20 0.73
PTPN5 P54829 1/20 0.73
PTPN11 Q06124 1/20 0.73
TAAR1 Q96RJ0 1/20 0.73
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2C9 P11712 1/20 0.68

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
SCHEMBL4356054 0.88 MAPK1 (0.70) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL11793983 0.82 KMT2A (0.83) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL4346975 0.81 RAB9A (0.68) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL4351439 0.80 MEN1 (0.72) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL9530086 0.80 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL6524477 0.79 RAB9A (1.00) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL4345394 0.79 MEN1 (0.74) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL1520437 0.78 RAB9A (1.00) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6955649 0.78 MAPT (1.00) MAPTSMN1; SMN2MEN1KMT2AALOX12
SCHEMBL4348959 0.78 ALOX12 (0.61) MAPTSMN1; SMN2MEN1KMT2AALOX12

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