SCHEMBL6965748

SCHEMBL6965748

Fc1cccc(Cl)c1CCNC(=S)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 7/20 0.52
RAB9A P51151 7/20 0.52
MEN1 O00255 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 6/20 0.52
NPC1 O15118 4/20 0.52
PKM P14618 2/20 0.52
HTT P42858 2/20 0.52
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABL1 P00519 1/20 0.43

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
SCHEMBL6964729 0.93 ALDH1A1 (0.57) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6962182 0.93 SMN1; SMN2 (0.57) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6964591 0.88 ALDH1A1 (0.53) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6952011 0.86 RAB9A (0.51) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6962436 0.86 SMN1; SMN2 (0.53) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6958790 0.85 ALDH1A1 (0.60) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6958978 0.85 SMN1; SMN2 (0.50) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6952157 0.85 ALDH1A1 (0.67) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2
SCHEMBL6961889 0.83 KMT2A (0.61) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL6964216 0.82 MAPT (0.51) KMT2AALDH1A1RAB9AMEN1SMN1; SMN2

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