SCHEMBL14233302

SCHEMBL14233302

[N-]=[N+]=NCc1cc(O)c(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.39
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SELL P14151 1/20 0.32
▸ SELP P16109 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13623245 0.81 KAT2B (0.34) MCL1HDAC1HDAC2HDAC3HDAC8
SCHEMBL16750958 0.79 CA1 (0.50) CYP2C9ALOX15HSD17B10
SCHEMBL15574020 0.75 GRIN2D (0.34) MCL1HDAC1HDAC2HDAC3HDAC8
SCHEMBL29362822 0.74 MCL1 (0.33) MCL1
SCHEMBL13855830 0.73 TSHR (0.38) MCL1HDAC1HDAC2HDAC3HDAC8
SCHEMBL16750950 0.71 PPARA (0.48) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13751664 0.71 HDAC8 (0.36) MCL1HDAC1HDAC2HDAC3HDAC8
SCHEMBL21527949 0.71 ALDH1A1 (0.32) MCL1HDAC1HDAC2HDAC3HDAC8
SCHEMBL13627733 0.71 TRPA1 (0.47) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL15786475 0.71 PGK1 (0.39) MCL1HDAC1HDAC2HDAC3HDAC8

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
US-9623046-B2 Amphiphilic Janus-dendrimers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-04-18 — — US disclosed
Send feedback