SCHEMBL6989814

SCHEMBL6989814

O=C(O)CCC(CNC(=S)CC(=O)c1ccccc1)NC(=S)CC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL6994495 0.86 KMT2A (0.44) NR4A2SMN1; SMN2MEN1CYP3A4HPGD
SCHEMBL6991984 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MEN1CYP3A4HPGDKMT2A
SCHEMBL8596365 0.76 MEN1 (0.57) NR4A2SMN1; SMN2MEN1CYP3A4HPGD
SCHEMBL27659373 0.75 TDP1 (0.41) NR4A2SMN1; SMN2MEN1CYP3A4HPGD
SCHEMBL9352755 0.72 KMT2A (0.44) SMN1; SMN2MEN1CYP3A4HPGDKMT2A
SCHEMBL6993582 0.71 KMT2A (0.50) NR4A2SMN1; SMN2MEN1CYP3A4HPGD
SCHEMBL9398218 0.69 MME (0.38) NR4A2KMT2ATDP1GAAALDH1A1
SCHEMBL9398221 0.68 GPR139 (0.53) NR4A2KMT2ATDP1MAPTGAA
SCHEMBL7716214 0.68 GPR139 (0.53) NR4A2KMT2ATDP1MAPTGAA
SCHEMBL11276739 0.67 NR4A2 (0.58) NR4A2SMN1; SMN2MEN1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606683-B1 Means for diagnosis of angiogenic diseases DIAGNOSTIKFORSCHUNG INST (DE) 2003-01-02 EP claimed
EP-0606683-B1 Means for diagnosis of angiogenic diseases DIAGNOSTIKFORSCHUNG INST (DE) 2003-01-02 EP disclosed
US-6379650-B1 FOR ENHANCING RADIOIMAGING OF AMYLOID DEPOSITS BY STANDARD NUCLEAR MEDICINE TECHNIQUES ASHTON WESLEY SCOTT (US) 2002-04-30 US disclosed
EP-0606683-A2 Means for diagnosis of angiogenic diseases INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1994-07-20 EP disclosed