SCHEMBL13579146

SCHEMBL13579146

BCC(=O)N(c1ccc(OC)cc1)C(C(=O)NC1CCCCC1)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.66
▸ LMNA P02545 1/20 0.66
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ YAP1 P46937 2/20 0.56
▸ TEAD4 Q15561 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ PRNP P04156 1/20 0.52
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50

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
SCHEMBL1567522 0.91 MAPT (0.69) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL1887127 0.91 YAP1 (0.66) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL1879167 0.91 MAPT (0.66) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12639504 0.86 MAPT (0.60) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL1876718 0.85 CYP3A4 (0.70) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL1888843 0.81 SMN1; SMN2 (0.68) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL15189077 0.80 SMN1; SMN2 (0.65) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL15189116 0.79 MAPT (0.63) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12672326 0.79 MAPT (0.53) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL1887723 0.79 MAPT (0.54) MAPTLMNACYP3A4CYP2C9CYP2C19

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-2009150248-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS CYTOMICS SYSTEMS (FR) 2009-12-17 — — WO disclosed
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