SCHEMBL6697366

SCHEMBL6697366

Nc1cccc2c1C(=O)N(CCC(=O)N1CCOCC1)C2=O.O=C(Nc1cccc2c1C(=O)N(CCC(=O)N1CCOCC1)C2=O)C1=CC(Cl)=CCC1=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
KMT2A Q03164 3/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 2/20 0.36
PKM P14618 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL6246108 0.96 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL6215019 0.87 KMT2A (0.42) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL6217886 0.87 ACHE (0.39) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL6219804 0.86 HSD17B10 (0.45) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL6697362 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL4302257 0.79 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL6218814 0.79 ACHE (0.39) ALDH1A1HSD17B10ACHE
SCHEMBL6667214 0.78 KMT2A (0.43) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
SCHEMBL5781841 0.77 HDAC1 (0.43) ALDH1A1KDM4EHDAC1KMT2AACHE
SCHEMBL5781219 0.77 ACHE (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD

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-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO disclosed