SCHEMBL4551595

SCHEMBL4551595

Cc1ccc2[nH]c(SCC(N)=O)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPT P10636 10/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 6/20 0.55
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
RECQL P46063 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL14959209 0.89 KMT2A (0.65) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1415008 0.83 ALDH1A1 (0.57) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13381572 0.82 NPC1 (0.61) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4675197 0.82 POLB (0.51) KMT2ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL8366653 0.80 CYP1A2 (0.54) KMT2ASMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL8251328 0.79 KMT2A (0.77) KMT2ASMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL14311148 0.78 LMNA (0.57) KMT2ASMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL1415007 0.78 ALDH1A1 (0.44) KMT2ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL17712421 0.77 MAPT (0.69) KMT2ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL7745159 0.77 RAB9A (0.66) KMT2ASMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO claimed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO disclosed