SCHEMBL14439847

SCHEMBL14439847

CSc1c(C(C)C)nc(CNCC(N)=O)n1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.40
TP53 P04637 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL14439846 0.88 PLA2G2A (0.48) PLA2G2AALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL14439848 0.79 POLB (0.46) PLA2G2AALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL6961674 0.74 TP53 (0.39) TP53ALDH1A1SMN1; SMN2KMT2AS1PR3
SCHEMBL8109122 0.72 RECQL (0.47) TP53ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL14439852 0.70 TLR7 (0.35) TLR7POLBKMT2A
SCHEMBL7082255 0.69 ALDH1A1 (0.41) TP53ALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL7086092 0.68 LMNA (0.35) TP53ALDH1A1SMN1; SMN2POLBHTT
Acetamide SCHEMBL6972197 0.68 TDP1 (0.41) TLR7ALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL7082911 0.67 ALDH1A1 (0.40) TP53ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL6974725 0.67 POLB (0.37) TP53ALDH1A1TDP1POLBHTT

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
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed