SCHEMBL5019751

SCHEMBL5019751

CCCn1nnc(N2CCC(C)=C(c3ccc(NC(=O)c4cccc(F)c4F)cc3)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
JAK1 P23458 1/20 0.36
AURKA O14965 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CHRNA7 P36544 3/20 0.36
KCNH2 Q12809 3/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 2/20 0.35
MCL1 Q07820 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL5019621 0.93 KDM4E (0.38) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5019626 0.92 KDM4E (0.37) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5019638 0.90 KMT2A (0.41) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL5019577 0.89 KDM4E (0.38) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5019600 0.87 JAK1 (0.37) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5019601 0.84 SMN1; SMN2 (0.37) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5019681 0.84 SMN1; SMN2 (0.36) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5031237 0.83 AURKA (0.44) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL5019609 0.83 AVPR2 (0.42) RAB9ANPC1KDM4ETDP1SMN1; SMN2
SCHEMBL1781817 0.83 KMT2A (0.50) RAB9ANPC1KDM4ETDP1SMN1; SMN2

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed