SCHEMBL6958765

SCHEMBL6958765

S=C(NCCc1cccnn1)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 3/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
GAA P10253 1/20 0.46
VCP P55072 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6958997 0.88 POLB (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962738 0.84 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962605 0.84 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6961293 0.83 KMT2A (0.55) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL6958790 0.82 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962182 0.82 SMN1; SMN2 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6964729 0.82 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6963088 0.81 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6952157 0.81 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6950071 0.81 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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 5 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-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