SCHEMBL6950122

SCHEMBL6950122

S=C(NCCC1=CCCCC1)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.67
ALOX12 P18054 6/20 0.67
RAB9A P51151 5/20 0.67
MAPT P10636 5/20 0.67
KDM4E B2RXH2 3/20 0.67
NPC1 O15118 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HTT P42858 3/20 0.58
PKM P14618 1/20 0.54
LMNA P02545 4/20 0.54
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 3/20 0.51

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
SCHEMBL6838100 0.81 LTC4S (0.62) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL7074252 0.81 SMN1; SMN2 (0.69) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL30733304 0.81 SMN1; SMN2 (0.69) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL6963658 0.80 SMN1; SMN2 (0.55) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL6847881 0.78 ALDH1A1 (0.55) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL6963664 0.78 ALDH1A1 (0.57) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL6957793 0.77 ALDH1A1 (0.76) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL14433963 0.77 ALDH1A1 (0.73) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL29352156 0.76 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9AMAPTKDM4E
SCHEMBL6951326 0.76 ALDH1A1 (0.74) ALDH1A1ALOX12RAB9AMAPTKDM4E

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