SCHEMBL1712735

SCHEMBL1712735

COc1ccc(OC)c(C2CCCN2C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPK1 P28482 2/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1713199 0.94 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL1713488 0.80 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL1713056 0.75 MAPK1 (0.67) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL1713223 0.74 MAPK1 (0.63) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL1713300 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL5282637 0.72 MEN1 (0.72) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL5243826 0.72 MEN1 (0.72) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL5244127 0.72 MEN1 (0.72) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL7829590 0.72 ALDH1A1 (0.52) ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL31518127 0.72 MTNR1B (0.50) ALDH1A1MEN1KMT2AMAPTCYP1A2

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
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed