SCHEMBL9628996

SCHEMBL9628996

O=C1CCCSc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PABPC1 P11940 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL1756087 0.89 HDAC1 (0.51) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL9628788 0.79 ALDH1A1 (0.62) MAPTNPC1BRD4CREBBPALDH1A1
SCHEMBL13323 0.77 ALDH1A1 (0.60) MAPTBRD4CREBBPALDH1A1GAA
SCHEMBL9629681 0.77 KMT2A (0.49) MAPTMAPK13GAAMEN1KMT2A
SCHEMBL9629602 0.77 KMT2A (0.53) NPC1BRD4CREBBPALDH1A1GAA
SCHEMBL9629595 0.77 HDAC1 (0.48) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL6632266 0.77 HDAC1 (0.42) MAPTNPC1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL30648399 0.76 ALDH1A1 (0.58) MAPTBRD4CREBBPALDH1A1GAA
SCHEMBL9629644 0.74 MAOB (0.68) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL9628745 0.74 KMT2A (0.46) MAPTALDH1A1MEN1KMT2ATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1313443-A None JP disclosed
EP-0340581-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-03-18 EP disclosed
US-4925994-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
JP-H01313443-A METHOD FOR RING CHLORINATION OF AROMATIC HYDROCARBON BAYER AG 1989-12-18 JP disclosed
EP-0340581-A2 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1989-11-08 EP disclosed