SCHEMBL5993987

SCHEMBL5993987

COc1ccc2c(c1)C1C=CCC1C(c1ccc([N+](=O)[O-])cc1)N2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 2/20 0.69
▸ CYBB P04839 1/20 0.64
▸ HPN P05981 2/20 0.57
▸ MAPT P10636 5/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ HSPA1A P0DMV8 2/20 0.56
▸ PTPN7 P35236 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NR4A1 P22736 2/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ PLA2G1B P04054 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ ATG4B Q9Y4P1 2/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ AR P10275 2/20 0.53
▸ GAPDH P04406 1/20 0.53
▸ HSPA8 P11142 1/20 0.53
▸ CD44 P16070 1/20 0.53

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
SCHEMBL25602307 0.88 USP7 (0.87) USP7CYBBHPNMAPTHSPA1A
SCHEMBL17704810 0.84 USP7 (0.73) USP7CYBBHPNMAPTHSPA1A
SCHEMBL15300175 0.82 MAPT (0.78) MAPTTDP1HSPA1APTPN7L3MBTL1
SCHEMBL25602301 0.82 USP7 (0.80) USP7CYBBHPNMAPTHSPA1A
SCHEMBL16406028 0.81 USP7 (1.00) USP7CYBBHPNMAPTHSPA1A
SCHEMBL15726783 0.81 CA12 (0.76) USP7CYBBHPNMAPTHSPA1A
SCHEMBL17464656 0.81 CA12 (0.76) USP7CYBBHPNMAPTHSPA1A
SCHEMBL14542508 0.81 NR4A1 (0.80) USP7CYBBHPNMAPTHSPA1A
SCHEMBL25602294 0.80 USP7 (0.67) USP7CYBBHPNMAPTHSPA1A
SCHEMBL31277265 0.78 CYBB (1.00) USP7CYBBHPNMAPTHSPA1A

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-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 — — WO disclosed
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