SCHEMBL6964729

SCHEMBL6964729

S=C(NCCc1c(Cl)cccc1Cl)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
MAPT P10636 6/20 0.57
PKM P14618 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
POLB P06746 1/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABL1 P00519 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.46
ROCK2 O75116 1/20 0.46

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
SCHEMBL6965748 0.93 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6964591 0.92 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6958790 0.90 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6962182 0.88 SMN1; SMN2 (0.57) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6964176 0.85 NPC1 (0.55) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6953866 0.85 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6950071 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6962738 0.84 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6962605 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6962436 0.84 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1MAPTPKM

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