SCHEMBL3442199

SCHEMBL3442199

O=CCOC1(c2cccnc2)CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.38
HSD11B1 P28845 2/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
EPHX2 P34913 1/20 0.36
TACR1 P25103 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3442561 0.91 KMT2A (0.46) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL3442371 0.85 MEN1 (0.47) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL4290464 0.84 NAMPT (0.48) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL3442175 0.81 MEN1 (0.44) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL2333396 0.81 CHRNB2 (0.46) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL3441493 0.80 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL3442414 0.79 MEN1 (0.42) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3441676 0.79 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL3442119 0.78 MEN1 (0.41) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL4301319 0.76 NAMPT (0.47) CYP2C9POLB

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-2262792-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO disclosed