SCHEMBL5692537

SCHEMBL5692537

CC(C)(C)c1ccc(-c2cccc(C(=O)NC(CC(=O)OC(=O)CC(NC(=O)c3cccc(Br)c3)c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ UTS2R Q9UKP6 8/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PDE2A O00408 1/20 0.43

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
SCHEMBL5691953 0.87 CTSB (0.48) MEN1KMT2ASMN1; SMN2UTS2RALDH1A1
SCHEMBL5308017 0.85 MEN1 (0.58) MEN1KMT2AUTS2RALDH1A1POLB
SCHEMBL3989762 0.85 SUCNR1 (0.56) UTS2R
SCHEMBL5693091 0.83 UTS2R (0.47) MEN1KMT2ASMN1; SMN2UTS2R
SCHEMBL5691904 0.83 MMP12 (0.47) MEN1KMT2AALDH1A1POLBPDE2A
SCHEMBL3994922 0.80 CTSA (0.56) KMT2ASMN1; SMN2UTS2RALDH1A1
SCHEMBL5926435 0.76 MEN1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL5927088 0.75 TACR3 (0.51) MEN1KMT2AALDH1A1POLBPDE2A
SCHEMBL5927078 0.74 SUCNR1 (0.56) UTS2R
SCHEMBL5926273 0.73 POLB (0.46) MEN1KMT2ASMN1; SMN2POLB

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
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO disclosed
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