SCHEMBL6211513

SCHEMBL6211513

Cc1cccc(NC(=O)CSc2nc3cnccc3[nH]2)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.77
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ MAPT P10636 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ENPP1 P22413 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ HTT P42858 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.54

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
SCHEMBL6212573 0.87 MPO (0.73) MPOSMN1; SMN2LMNAMAPTMEN1
SCHEMBL6213918 0.87 MPO (0.63) MPOSMN1; SMN2LMNAMAPK1MAPT
SCHEMBL16208435 0.83 MPO (0.73) MPOSMN1; SMN2LMNAMAPK1MAPT
SCHEMBL6213951 0.81 ALDH1A1 (0.64) MPOSMN1; SMN2LMNAMAPK1MAPT
SCHEMBL16208389 0.80 MPO (0.72) MPOSMN1; SMN2LMNAMAPK1MAPT
SCHEMBL16208411 0.78 KCNH2 (0.64) MPOSMN1; SMN2LMNAMAPK1MAPT
SCHEMBL16208352 0.78 THRB (0.67) MPOLMNAMAPK1MAPTMEN1
SCHEMBL9693079 0.75 RAB9A (0.60) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL12486415 0.74 MPO (0.77) MPOSMN1; SMN2LMNAMAPK1MAPT
SCHEMBL15347348 0.74 MPO (1.00) MPOSMN1; SMN2LMNAMAPK1MAPT

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-1020451-B1 ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2005-06-15 — — EP claimed
EP-1020451-B1 ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2005-06-15 — — EP disclosed
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