SCHEMBL27713620

SCHEMBL27713620

NC(=O)C(C#Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 3/20 0.50
CTSS P25774 5/20 0.49
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRB2 P07550 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL2155004 0.88 CTSS (0.52) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL4956424 0.86 KDM4E (0.57) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL27693735 0.85 KDM4E (0.58) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL27693728 0.84 KDM4E (0.58) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL2156099 0.82 KDM4E (0.55) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL27693900 0.82 KDM4E (0.55) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL2155000 0.79 KDM4E (0.51) KDM4EMAPTALDH1A1HSD17B10CTSS
SCHEMBL27693768 0.78 MAPT (0.47) MAPTALDH1A1TP53TSHRMAPK1
SCHEMBL27693734 0.77 KMT2A (0.44) MAPTALDH1A1TP53PKMMEN1
SCHEMBL2156397 0.76 KDM4E (0.57) KDM4EMAPTALDH1A1HSD17B10CTSS

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
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed