SCHEMBL21254812

SCHEMBL21254812

CN/C(=C\C=N)C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ MAPT P10636 9/20 0.39
▸ LMNA P02545 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.37

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
SCHEMBL21254913 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL21254666 0.86 MAPT (0.40) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL21254465 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL21254918 0.83 MAPT (0.40) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL21254472 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL6120725 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL21254675 0.81 SLC2A1 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL1665841 0.80 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL1664630 0.80 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL1664366 0.80 HPGDS (0.54) RAB9ANPC1SMN1; SMN2TP53MAPK1

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-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 — — EP disclosed
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