SCHEMBL3707736

SCHEMBL3707736

COc1cccc(CCN2C(=O)C(O)=C(C(C)=O)C2c2ccc(Br)cc2)c1.O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)cc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.59
POLB P06746 1/20 0.59
USP7 Q93009 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 1/20 0.52
TP53 P04637 2/20 0.51
MDM2 Q00987 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
FPR1 P21462 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3706362 0.90 USP7 (0.67) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL29619258 0.90 USP7 (0.67) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL3712252 0.87 TP53 (0.65) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL3705477 0.85 ALOX15 (0.61) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL3705340 0.83 MEN1 (0.78) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL16904825 0.82 ALOX15 (0.63) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL6781400 0.81 MEN1 (0.72) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL3706307 0.81 USP7 (0.69) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL3714413 0.80 USP7 (0.73) ALOX15POLBUSP7MEN1KMT2A
SCHEMBL15563413 0.80 ALOX15 (0.60) ALOX15POLBUSP7MEN1KMT2A

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