SCHEMBL6950071

SCHEMBL6950071

S=C(NCCc1cc(Cl)cc(Cl)c1)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
ROCK1 Q13464 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ROCK2 O75116 3/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL6953866 0.92 MEN1 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962738 0.88 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6958093 0.87 KMT2A (0.50) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6956968 0.85 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6958790 0.85 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6964729 0.85 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962350 0.84 ROCK1 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962797 0.84 ROCK2 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6962605 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6964591 0.83 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