SCHEMBL3120645

SCHEMBL3120645

CCOc1cc(C(Nc2cccc(C(=O)O)c2)c2cncnc2)ccc1OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MITF O75030 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PAX8 Q06710 1/20 0.39
PDE4A P27815 6/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3120970 0.92 RAB9A (0.39) DGAT2SMN1; SMN2NPC1RAB9ACREBBP
SCHEMBL3131347 0.89 PDE4A (0.49) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3125816 0.75 LMNA (0.48) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3123717 0.73 TSHR (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3117724 0.73 DGAT2 (0.41) DGAT2SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL3131001 0.70 PDE4A (0.55) PDE4A
SCHEMBL3120585 0.69 F7 (0.42) RAB9AMAPTMEN1KMT2ANPSR1
SCHEMBL2902041 0.68 PDE4A (0.46) PDE4A
SCHEMBL2908318 0.68 PDE4A (0.46) PDE4A
SCHEMBL2902818 0.68 PDE4A (0.46) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed