SCHEMBL7992091

SCHEMBL7992091

O=C(CCl)N(Cc1ccccc1)Cc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
PAX8 Q06710 2/20 0.47
GLA P06280 1/20 0.47
NR1H3 Q13133 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PLA2G4A P47712 1/20 0.43
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
REN P00797 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL5451636 0.82 NPC1 (0.67) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL18292123 0.76 RCE1 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL7992011 0.74 NPC1 (0.49) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8668663 0.74 NPC1 (0.53) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL9366937 0.73 PLA2G4A (0.41) SMN1; SMN2NR1H3PLA2G4ACES1L3MBTL1
SCHEMBL13110634 0.73 NR1H3 (0.47) ALDH1A1SMN1; SMN2NR1H3KDM4ETSHR
SCHEMBL25383799 0.73 ALOX5 (0.65) SMN1; SMN2TNKSTNKS2PLA2G4ACES1
SCHEMBL8670024 0.72 RAB9A (0.51) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2931129 0.72 ALDH1A1 (0.66) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL17925491 0.72 KCNA5 (0.48) NPC1RAB9AMEN1KMT2ATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277871-B1 ANTICANCER AGENTS ABBOTT LABORATORIES 2001-08-21 US disclosed