SCHEMBL3709852

SCHEMBL3709852

CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)c(Cl)c1.COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALOX15 P16050 5/20 0.59
LMNA P02545 1/20 0.59
FPR1 P21462 3/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 4/20 0.56
HSD17B10 Q99714 1/20 0.56
HTT P42858 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
USP7 Q93009 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.49
USP2 O75604 1/20 0.47

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
SCHEMBL3707512 0.91 ALOX15 (0.70) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3710756 0.91 USP7 (0.63) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3706706 0.82 MEN1 (0.60) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3716653 0.82 USP7 (0.70) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3705034 0.79 USP7 (0.59) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3713655 0.77 USP7 (0.60) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3705340 0.77 MEN1 (0.78) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL6721712 0.76 ALOX15 (0.74) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3705035 0.74 KDM4E (0.66) MEN1KMT2AALOX15LMNAFPR1
SCHEMBL3707576 0.73 KDM4E (0.64) MEN1KMT2AALOX15LMNAFPR1

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
WO-2010081783-A1 NOVEL SPECIFIC INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2010-07-22 WO claimed