SCHEMBL6954353

SCHEMBL6954353

Fc1cccc(F)c1CCNC(=S)Nc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.39
ALOX12 P18054 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL6955439 0.92 CNR1 (0.46) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6962193 0.89 GAA (0.44) CYP1A2CYP2D6CYP2C19CYP3A4HTT
SCHEMBL6957231 0.88 KMT2A (0.47) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6965203 0.86 MEN1 (0.47) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6958454 0.85 ADRA2A (0.48) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL6954180 0.85 PTGES (0.38) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6964342 0.82 MAPT (0.41) HTTALDH1A1ALOX12MEN1KMT2A
SCHEMBL6965853 0.82 KMT2A (0.41) CYP1A2CYP2D6CYP2C19CYP3A4HTT
SCHEMBL6964723 0.81 ALDH1A1 (0.54) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6962622 0.81 GAA (0.45) CYP1A2CYP2D6CYP2C19CYP3A4HTT

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