SCHEMBL18723049

SCHEMBL18723049

CCC(C)CCCCn1nnc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 7/20 0.43
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32

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
SCHEMBL16522412 0.88 SLC9A1 (0.43) SLC9A1FAAHMGLLRAB9AUSP2
SCHEMBL16526236 0.83 SLC9A1 (0.60) SLC9A1FAAHMGLLALDH1A1LMNA
SCHEMBL18723166 0.79 SLC9A1 (0.43) SLC9A1MGLLLMNAMEN1KMT2A
SCHEMBL11959511 0.75 SLC9A1 (0.68) SLC9A1RAB9ANPC1LMNAMEN1
SCHEMBL12672863 0.75 SLC9A1 (0.55) SLC9A1FAAHMGLLALDH1A1LMNA
SCHEMBL13173782 0.74 KDM1A (0.44) SLC9A1FAAHMGLLALDH1A1LMNA
SCHEMBL13780815 0.69 SLC9A1 (0.66) SLC9A1RAB9ANPC1LMNAMEN1
SCHEMBL21297115 0.68 SLC9A1 (0.39) SLC9A1FAAHMGLLALDH1A1TUBB4A
SCHEMBL24983450 0.68 SLC9A1 (0.40) SLC9A1FAAHMGLL
SCHEMBL8256698 0.66 SLC9A1 (0.50) SLC9A1FAAHMGLLRAB9AALDH1A1

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-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 — — US disclosed
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