SCHEMBL254239

SCHEMBL254239

Nc1ccc(-c2ccc(C(=O)NC3CCN(O)C3=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
IKZF3 Q9UKT9 1/20 0.50
TPSAB1 Q15661 6/20 0.42
TPSD1 Q9BZJ3 6/20 0.42
TPSG1 Q9NRR2 6/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 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
SCHEMBL255439 1.00 DDB1 (0.50) DDB1CRBNIKZF3TPSAB1TPSD1
SCHEMBL19262713 0.88 DDB1 (0.47) DDB1CRBNIKZF3TPSAB1TPSD1
SCHEMBL154944 0.86 DDB1 (0.45) DDB1CRBNIKZF3TPSAB1TPSD1
SCHEMBL154383 0.86 DDB1 (0.45) DDB1CRBNIKZF3TPSAB1TPSD1
SCHEMBL254664 0.82 SLC6A5 (0.51)
SCHEMBL157111 0.79 DDB1 (0.39) DDB1CRBNIKZF3NPC1RAB9A
SCHEMBL156868 0.79 DDB1 (0.39) DDB1CRBNIKZF3NPC1RAB9A
SCHEMBL13984525 0.78 KDM4E (0.61) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL19262718 0.75 DDB1 (0.46) DDB1CRBNIKZF3MEN1NPC1
SCHEMBL19262604 0.75 DDB1 (0.46) DDB1CRBNIKZF3MEN1NPC1

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-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed