SCHEMBL13797646

SCHEMBL13797646

CN(C)c1nc(Nc2ccc(NC(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TNF P01375 6/20 0.46
▸ TNFSF11 O14788 4/20 0.44
▸ HTR6 P50406 5/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL13793681 0.80 MCHR1 (0.64) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8999103 0.79 PLK1 (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13793906 0.77 MCHR1 (0.57) PLK1TNFSF11
SCHEMBL13797657 0.72 DGAT1 (0.54) LMNASMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL13797659 0.72 MEN1 (0.62) LMNAMEN1KMT2ACYP3A4
SCHEMBL3947644 0.71 TP53 (0.51) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8999130 0.71 PLK1 (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL937937 0.71 NPY5R (0.60) LMNASMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL13796619 0.71 CTNNB1 (0.52) LMNAMEN1KMT2ACYP3A4
SCHEMBL13797643 0.70 MAPT (0.50) LMNASMN1; SMN2MEN1KMT2AHDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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