SCHEMBL7549934

SCHEMBL7549934

COC(=O)[AsH]C1Cc2ccc(N)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 2/20 0.38
MMP1 P03956 1/20 0.38
ADAM17 P78536 1/20 0.38
ADAM9 Q13443 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NR1H2 P55055 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 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
SCHEMBL18989955 0.78 KMT2A (0.47) MMP8MMP3MMP9MMP1ADAM17
SCHEMBL6199831 0.75 CA1 (0.47) MMP8MMP3CA12CA1CA2
SCHEMBL6198196 0.75 CA1 (0.47) MMP8MMP3CA12CA1CA2
SCHEMBL7909110 0.75 PSEN1 (0.40) MMP8MMP3MMP9MMP1ADAM17
SCHEMBL4231484 0.75 CA1 (0.47) MMP8MMP3CA12CA1CA2
Hydrochloric Acid SCHEMBL6203124 0.74 CA1 (0.46) MMP8MMP3CA12CA1CA2
Hydrochloric Acid SCHEMBL6203128 0.74 CA1 (0.46) MMP8MMP3CA12CA1CA2
SCHEMBL8008813 0.71 CA1 (0.64) CA12CA1CA2CA7CA14
SCHEMBL6200513 0.71 ALDH1A1 (0.42) MMP8MMP3ALDH1A1NR1H2PSEN1
SCHEMBL6583483 0.71 CA1 (0.64) CA12CA1CA2CA7CA14

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-1259484-A1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION Novartis AG (CH) 2002-11-27 EP disclosed
WO-2001053260-A1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION NOVARTIS AG (CH) 2001-07-26 WO disclosed