SCHEMBL6966522

SCHEMBL6966522

O=C(NN[C]=S)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
ALOX15 P16050 1/20 0.56
HDAC1 Q13547 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
POLB P06746 4/20 0.55
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55

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
SCHEMBL6964297 0.83 HDAC3 (0.60) HDAC3CA12CA1IDO1ALOX15
SCHEMBL16438824 0.80 HDAC3 (0.68) HDAC3CA12CA1IDO1ALOX15
SCHEMBL400890 0.79 RAB9A (0.77) HDAC3CA12CA1IDO1ALOX15
SCHEMBL3247730 0.78 ALOX15 (0.54) HDAC3CA12CA1IDO1ALOX15
SCHEMBL12324391 0.77 RAB9A (0.82) HDAC3CA12CA1IDO1ALOX15
SCHEMBL6967578 0.74 RAB9A (0.63) HDAC3CA12CA1IDO1ALOX15
SCHEMBL11298577 0.74 RAB9A (0.75) CA1CA9POLBKDM4ERAB9A
SCHEMBL28875360 0.73 SMN1; SMN2 (0.71) HDAC3CA12CA1IDO1ALOX15
SCHEMBL3724445 0.73 RAB9A (0.68) HDAC3CA12CA1IDO1ALOX15
SCHEMBL28308054 0.73 RAB9A (0.61) HDAC3CA12CA1IDO1ALOX15

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
CN-112867787-A Insulin producing cells 武田药品工业株式会社 2021-05-28 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed