SCHEMBL21844906

SCHEMBL21844906

CCN(CCO)CCc1cccc(C(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ TP53 P04637 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KDR P35968 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL21844848 0.86 PARP1 (0.49) BCHENPC1RAB9ATP53SMN1; SMN2
SCHEMBL21844826 0.84 NPC1 (0.51) BCHENPC1RAB9ATP53SMN1; SMN2
SCHEMBL1696476 0.81 NPC1 (0.58) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL21844908 0.81 KDM1A (0.48) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL15676754 0.79 NPC1 (0.61) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL21844862 0.76 MEN1 (0.59) RAB9ATP53SMN1; SMN2KDM4ETSHR
SCHEMBL17664548 0.75 NPC1 (0.59) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL19157165 0.74 BCHE (0.59) BCHENPC1RAB9ATSHRMEN1
SCHEMBL12700261 0.74 TP53 (0.75) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL1690509 0.73 NPC1 (0.57) NPC1RAB9ATP53SMN1; SMN2KDM4E

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
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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