SCHEMBL13993244

SCHEMBL13993244

C=Cc1ccc(-c2cc(C3CCNCC3)nn2-c2ccc(OC)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGS2 P35354 6/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ PLAT P00750 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR1B P28222 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
SCHEMBL3104892 0.86 MEN1 (0.45) MEN1KMT2APTGS2PTGS1TGFBR1
SCHEMBL3100346 0.85 MEN1 (0.52) MEN1KMT2APTGS2PTGS1PLAT
SCHEMBL3096791 0.81 MEN1 (0.48) MEN1KMT2APTGS2PTGS1CYP1A2
SCHEMBL3093919 0.80 KCNJ6 (0.50) MEN1KMT2APTGS2PTGS1CYP1A2
SCHEMBL3093801 0.79 MEN1 (0.46) MEN1KMT2APTGS2PTGS1PLAT
SCHEMBL3105412 0.78 PTGS2 (0.46) MEN1KMT2APTGS2PTGS1PLAT
SCHEMBL3100756 0.75 CARM1 (0.44) MEN1KMT2APLATKCNJ6KCNJ3
SCHEMBL3097657 0.74 MAPT (0.42) MEN1KMT2APLATCYP1A2CYP3A4
SCHEMBL14504449 0.72 MGLL (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL3093815 0.72 MAPT (0.47) MEN1KMT2ATGFBR1PLATKCNJ6

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-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — EP disclosed
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