SCHEMBL18672829

SCHEMBL18672829

CCCCCCn1cnnn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62
TBXAS1 P24557 1/20 0.42
LTB4R Q15722 1/20 0.40
SMPD1 P17405 4/20 0.39
KDR P35968 5/20 0.37
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
SLC9A1 P19634 2/20 0.36

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
SCHEMBL940260 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL18649880 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL20915328 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL20936481 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL20936607 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL10950345 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL20915528 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL20915262 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL20915274 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R
SCHEMBL6050372 1.00 MEN1 (0.62) MEN1ALDH1A1KMT2ATBXAS1LTB4R

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-9603895-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed