SCHEMBL3694404

SCHEMBL3694404

COC(=O)c1cc(C(=O)c2ccc(N)cc2)ccc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.48
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ PYGL P06737 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GLA P06280 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
SCHEMBL2889149 0.86 TP53 (0.54) ABL1MAPTRAB9ANPC1PYGL
SCHEMBL7126697 0.77 KDM4E (0.56) ABL1MAPTRAB9ANPC1ATM
SCHEMBL2884838 0.76 ALDH1A1 (0.47) ABL1MAPTRAB9ANPC1ATM
SCHEMBL17772042 0.73 ABL1 (0.57) ABL1MAPTRAB9ANPC1ATM
SCHEMBL4854740 0.72 ABL1 (0.60) ABL1MAPTRAB9ANPC1ATM
SCHEMBL231538 0.72 ABL1 (0.49) ABL1MAPTRAB9ANPC1ATM
SCHEMBL1290704 0.71 KDM4E (0.60) ABL1MAPTRAB9ANPC1ATM
SCHEMBL6654858 0.71 SRD5A2 (0.70) MAPTRAB9ANPC1CYP1A2CYP2C19
SCHEMBL11590852 0.71 POLB (0.67) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7908252 0.70 CA1 (0.57) MAPTRAB9AATMCYP1A2CYP2C19

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-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 — — EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 — — WO disclosed
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