SCHEMBL19986694

SCHEMBL19986694

Cc1cc(NC(=O)NCC2(CNc3c(C)cncc3C)CCCCCC2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
PRMT3 O60678 1/20 0.41
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
KCNJ6 P48051 4/20 0.39
KCNJ5 P48544 4/20 0.39
KCNJ3 P48549 4/20 0.39
KDR P35968 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM4 Q14833 1/20 0.36
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
SIGMAR1 Q99720 1/20 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
SCHEMBL19986607 1.00 NAMPT (0.41) NAMPTPRMT3KMT2AUSP2KCNJ6
SCHEMBL19986634 0.92 KMT2A (0.41) NAMPTPRMT3KMT2AUSP2KCNJ6
SCHEMBL19986603 0.90 NAMPT (0.42) NAMPTKMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL19986713 0.86 KCNJ6 (0.39) NAMPTKMT2AUSP2KCNJ6KCNJ5
SCHEMBL19986668 0.86 KCNJ6 (0.39) NAMPTKMT2AUSP2KCNJ6KCNJ5
SCHEMBL19986606 0.82 ALDH1A1 (0.53) KMT2AUSP2ALDH1A1MEN1
SCHEMBL19986693 0.82 ALDH1A1 (0.53) KMT2AUSP2ALDH1A1MEN1
SCHEMBL19986461 0.80 ALDH1A1 (0.52) KMT2AUSP2ALDH1A1MEN1
SCHEMBL19986554 0.80 MEN1 (0.47) NAMPTKMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL19986646 0.78 ALDH1A1 (0.49) KMT2AUSP2ALDH1A1MEN1

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
WO-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed