SCHEMBL7678960

SCHEMBL7678960

NC1=CC(=O)CC(c2ccco2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.67
TDP1 Q9NUW8 5/20 0.67
MAPT P10636 4/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
RECQL P46063 2/20 0.67
APOBEC3A P31941 1/20 0.67
APOBEC3G Q9HC16 1/20 0.67
KMT2A Q03164 4/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 2/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 6/20 0.53
GAA P10253 3/20 0.53
ALOX12 P18054 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
PABPC1 P11940 1/20 0.50

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
SCHEMBL14125467 0.76 POLB (0.66) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL1177395 0.73 POLB (1.00) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL4421957 0.72 SMN1; SMN2 (0.56) POLBTDP1MAPTRECQLKMT2A
SCHEMBL1177894 0.70 POLB (0.62) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL1782631 0.69 POLB (0.56) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL14125492 0.68 POLB (0.59) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL7686920 0.68 LDHA (0.44) POLBRECQLHSD17B10ALDH1A1ALOX12
SCHEMBL679418 0.68 POLB (0.50) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL19296871 0.68 POLB (1.00) POLBTDP1MAPTL3MBTL1RECQL
SCHEMBL6045417 0.67 ALDH1A1 (1.00) POLBTDP1MAPTL3MBTL1RECQL

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-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed