SCHEMBL6697362

SCHEMBL6697362

Nc1cccc2c1C(=O)N(CCC(=O)N1CCOCC1)C2=O.O=C(Nc1cccc2c1C(=O)N(CCC(=O)N1CCOCC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.45
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F10 P00742 4/20 0.42
HSD17B10 Q99714 3/20 0.41
POLB P06746 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ACHE P22303 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4307542 0.96 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL4306015 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL4310711 0.85 KMT2A (0.46) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL4309398 0.85 HSD17B10 (0.48) SMN1; SMN2ALDH1A1KDM4ERAB9AF10
SCHEMBL13950057 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL13950080 0.83 KMT2A (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAF10
SCHEMBL4302257 0.82 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL6697366 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA
SCHEMBL4314316 0.80 ACHE (0.45) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL13950089 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HPGDF10POLB

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