SCHEMBL6963003

SCHEMBL6963003

CC(NC(=S)Nc1ccc(Br)cn1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LTC4S Q16873 2/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6955501 0.86 LTC4S (0.63) ALDH1A1LTC4SRAB9ANPC1MAPT
SCHEMBL6232344 0.85 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL6953534 0.85 RAB9A (0.50) ALDH1A1LTC4SRAB9ANPC1MAPT
SCHEMBL6963618 0.80 CYP1A2 (0.50) ALDH1A1LTC4SRAB9ANPC1POLB
SCHEMBL7751110 0.80 ALDH1A1 (0.54) ALDH1A1LTC4SRAB9ANPC1POLB
SCHEMBL6906856 0.80 ALDH1A1 (0.48) ALDH1A1LTC4SRAB9ANPC1POLB
SCHEMBL7078039 0.80 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL7845144 0.77 SMN1; SMN2 (0.50) ALDH1A1RAB9ANPC1MAPTLMNA
SCHEMBL8191980 0.77 FPR2 (0.55) ALDH1A1LTC4SRAB9ANPC1POLB
SCHEMBL8197608 0.77 RAB9A (0.56) ALDH1A1LTC4SRAB9ANPC1POLB

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