SCHEMBL15212688

SCHEMBL15212688

COC(=O)Cc1coc2cc(OCc3ccc(Cl)cc3Cl)c(-c3cnn(C)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
P2RX7 Q99572 4/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGER1 P34995 1/20 0.35
HAT1 O14929 3/20 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
SCHEMBL17431434 0.92 PPARD (0.42) KITHPGDSMN1; SMN2POLBS1PR1
SCHEMBL17444908 0.87 HDAC8 (0.42) HPGDSMN1; SMN2POLBLMNAHDAC8
SCHEMBL17431412 0.83 HAT1 (0.37) KITHPGDSMN1; SMN2POLBLMNA
SCHEMBL15220402 0.82 HDAC8 (0.47) HPGDSMN1; SMN2POLBLMNAHDAC8
SCHEMBL17444909 0.81 HTT (0.42) HPGDSMN1; SMN2POLBLMNAHDAC8
SCHEMBL17444907 0.81 HDAC8 (0.44) HPGDSMN1; SMN2POLBLMNAHDAC8
SCHEMBL15220395 0.80 HDAC8 (0.46) HPGDSMN1; SMN2POLBLMNAHDAC8
SCHEMBL15211267 0.78 PTGDR (0.43) HPGDSMN1; SMN2POLBLMNAHDAC8
SCHEMBL15212687 0.77 SLC26A4 (0.41) KITHPGDSMN1; SMN2POLBLMNA
SCHEMBL15211600 0.77 PPARD (0.48) SMN1; SMN2POLBHDAC8ALDH1A1GAA

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
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed