SCHEMBL8985140

SCHEMBL8985140

N#CNC1(NC#N)C=CC(C(=O)c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ATM Q13315 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
IDO1 P14902 1/20 0.32
ALOX15 P16050 1/20 0.32
HDAC1 Q13547 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL8985178 0.81 HDAC2 (0.38) ALDH1A1TDP1HDAC1HDAC2HSD17B10
SCHEMBL5435458 0.78 ALDH1A1 (0.38) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL7856777 0.78 ALDH1A1 (0.38) ALDH1A1ATMTDP1L3MBTL1HDAC3
SCHEMBL10702673 0.76 ALDH1A1 (0.33) ALDH1A1TDP1ALOX15MEN1KMT2A
SCHEMBL21900330 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL136599 0.74 ALDH1A1 (0.43) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL993046 0.74 ALDH1A1 (0.43) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL659657 0.73 ALDH1A1 (0.42) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL156513 0.73 ALDH1A1 (0.42) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL528382 0.73 ALDH1A1 (0.42) ALDH1A1ATMTDP1L3MBTL1CA12

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
EP-0476589-B1 Multi-layer wiring substrate and production thereof HITACHI LTD (JP) 1996-06-12 EP disclosed
EP-0476589-A2 Multi-layer wiring substrate and production thereof HITACHI, LTD. (JP) 1992-03-25 EP disclosed