SCHEMBL14586372

SCHEMBL14586372

COc1ccccc1C=C1C(=O)NC(=O)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.68
▸ MAPT P10636 4/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ MAP2K1 Q02750 1/20 0.62
▸ KMT2A Q03164 7/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ GAA P10253 2/20 0.55
▸ SIRT1 Q96EB6 1/20 0.55
▸ NAT1 P18440 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ METAP1 P53582 1/20 0.53
▸ XDH P47989 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MDM2 Q00987 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ NCOA1 Q15788 1/20 0.49

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
SCHEMBL4040479 0.87 NPC1 (0.65) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL13848495 0.86 PDE4B (0.58) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL10708397 0.85 MEN1 (0.74) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL10708392 0.85 MEN1 (0.74) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL13044217 0.84 MEN1 (0.77) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL14181813 0.83 MAPT (0.58) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL14713049 0.83 METAP1 (0.58) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL16442345 0.81 NPC1 (1.00) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL29367529 0.81 NPC1 (1.00) NPC1MAPTALDH1A1TDP1MAPK1
SCHEMBL5469692 0.81 NPC1 (1.00) NPC1MAPTALDH1A1TDP1MAPK1

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
US-20070026398-A1 Protein tyrosine phosphatase-prl-1 a a marker and therapeutic target for pancreatic cancer ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2007-02-01 — — US disclosed
US-20070026398-A1 Protein tyrosine phosphatase-prl-1 a a marker and therapeutic target for pancreatic cancer ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2007-02-01 — — US disclosed
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