SCHEMBL6955501

SCHEMBL6955501

Cc1ccc(NC(=S)NC(C)c2ccccn2)nc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.63
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 2/20 0.45
ALOX12 P18054 2/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6232344 0.86 ALDH1A1 (0.57) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL6963003 0.86 ALDH1A1 (0.54) LTC4SRAB9AALDH1A1KMT2ALMNA
SCHEMBL6953534 0.86 RAB9A (0.50) LTC4SRAB9AALDH1A1KMT2ALMNA
SCHEMBL6963618 0.81 CYP1A2 (0.50) LTC4SRAB9AALDH1A1KMT2ALMNA
SCHEMBL7845144 0.78 SMN1; SMN2 (0.50) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL6284560 0.74 NPC1 (0.56) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL29117982 0.71 ALDH1A1 (0.51) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL30648074 0.71 ALDH1A1 (0.51) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL11485382 0.71 RAB9A (0.59) LTC4SRAB9AALDH1A1KMT2ALMNA
SCHEMBL6392481 0.70 PARP1 (0.49) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1

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 4 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-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