SCHEMBL9770869

SCHEMBL9770869

COC(=O)CSc1cc(NC(=S)N2CCCC=N2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9770873 0.83 KMT2A (0.33) L3MBTL1KMT2APOLBPRNPRXFP1
SCHEMBL9824016 0.78 ALDH1A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10514576 0.74 MAPK1 (0.35) L3MBTL1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL9770917 0.72 ALDH1A1 (0.44) KMT2AALDH1A1LMNAMAPT
SCHEMBL10429606 0.71 L3MBTL1 (0.47) L3MBTL1KMT2APOLBPRNPRXFP1
SCHEMBL9823977 0.70 ALDH1A1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9208532 0.70 LMNA (0.41) L3MBTL1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8608512 0.69 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9824039 0.68 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10338291 0.67 NPSR1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed