SCHEMBL13906738

SCHEMBL13906738

Bc1ccccc1C(=O)NC1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.50
▸ ME3 Q16798 1/20 0.47
▸ SMYD3 Q9H7B4 2/20 0.46
▸ HPGDS O60760 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CASR P41180 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ SFRP1 Q8N474 1/20 0.42

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
SCHEMBL3958961 0.85 POLB (0.58) USP2ME3SMYD3HPGDSMEN1
SCHEMBL15560163 0.84 SMYD3 (0.59) USP2ME3SMYD3HPGDSMEN1
SCHEMBL13906605 0.83 SMN1; SMN2 (0.48) SMYD3MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3956681 0.80 GAA (0.53) USP2MEN1KMT2ASMN1; SMN2
SCHEMBL8346658 0.78 DRD4 (0.64) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL27889141 0.75 ALDH1A1 (0.58) USP2ME3HPGDSKMT2ACASR
SCHEMBL8351812 0.73 USP2 (0.69) USP2ME3SMYD3HPGDSMEN1
SCHEMBL22815724 0.73 POLB (0.56) ME3SMYD3MEN1KMT2APOLB
SCHEMBL17832734 0.72 LTA4H (0.56) USP2HPGDSMEN1KMT2ACASR
SCHEMBL3958384 0.72 DRD4 (0.56) USP2ME3MEN1KMT2ACASR

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-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 — — WO disclosed
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