SCHEMBL4082049

SCHEMBL4082049

O=C(CCCNc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1)NN=Cc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 4/20 0.66
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
POLB P06746 5/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.56
GRK2 P25098 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL13569037 1.00 RAB9A (0.66) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13568880 0.90 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4074184 0.90 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4075143 0.88 GRK2 (0.62) SMN1; SMN2MEN1KMT2APOLBTDP1
SCHEMBL13569028 0.88 GRK2 (0.62) SMN1; SMN2MEN1KMT2APOLBTDP1
SCHEMBL13568966 0.85 POLB (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13569005 0.85 CA2 (0.59) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13568977 0.85 MEN1 (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4073741 0.85 MEN1 (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13568962 0.84 ESR1 (0.63) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed