SCHEMBL18625817

SCHEMBL18625817

CC(C)Cn1cc(-c2cc3ccccc3c3ccccc23)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL16264766 0.84 CCNK (0.46) CCNE1CDK2MEN1KMT2ACYP11B1
SCHEMBL16263155 0.82 CCNE1 (0.37) CCNE1CDK2MEN1KMT2ATSHR
SCHEMBL22321061 0.79 CYP19A1 (0.59) CDK2MEN1KMT2ACYP19A1NPC1
SCHEMBL20001350 0.75 NAMPT (0.37) NAMPTMGAMGAASIMGAM2
SCHEMBL18625821 0.74 CYP19A1 (0.60) NAMPTMGAMGAASIMGAM2
SCHEMBL13527780 0.74 HTR2A (0.39) NAMPTMGAMGAASIMGAM2
SCHEMBL18625959 0.72 NAMPT (0.43) NAMPTMGAMGAASIMGAM2
SCHEMBL18625968 0.72 CYP19A1 (0.57) NAMPTMGAMGAASIMGAM2
SCHEMBL24299431 0.69 AAK1 (0.42) NAMPTCCNKCDK12
SCHEMBL12304956 0.69 TEK (0.55) NAMPTMGAMGAASIMGAM2

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-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 — — US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
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