SCHEMBL7121634

SCHEMBL7121634

CS(=O)(=O)C(=C1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
OPRD1 P41143 6/20 0.44
MAOB P27338 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C1 Q04828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX15 P16050 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
Hydrochloric Acid SCHEMBL6011673 0.99 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5078893 0.91 MEN1 (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5078307 0.90 OPRD1 (0.46) KMT2AMEN1ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL6011925 0.90 MEN1 (0.42) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5082007 0.89 MAOB (0.45) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5075632 0.88 OPRD1 (0.50) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5075554 0.88 OPRM1 (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL6011691 0.88 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5077606 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5075746 0.86 USP2 (0.48) KMT2AMEN1ALDH1A1KDM4ETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed