SCHEMBL5330985

SCHEMBL5330985

CN(C)c1ccc(-c2nnc(SCC(=O)NN)n2C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
GAA P10253 3/20 0.56
ADRB2 P07550 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 3/20 0.53
MDM2 Q00987 1/20 0.53
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
BAP1 Q92560 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5329766 0.90 GAA (0.64) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5422195 0.89 GAA (0.62) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5338355 0.87 TSHR (0.59) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5332827 0.84 GAA (0.56) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5336137 0.81 KMT2A (0.62) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5336129 0.81 KMT2A (0.62) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5336800 0.80 KMT2A (0.80) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5329256 0.80 ALDH1A1 (0.58) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5425561 0.77 RXFP1 (0.60) TSHRGAAADRB2MEN1KMT2A
SCHEMBL5416217 0.77 ALDH1A1 (0.60) TSHRGAAADRB2MEN1KMT2A

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-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed