SCHEMBL28077641

SCHEMBL28077641

CN(C1(C)CCN(C(=O)O)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL16565570 0.84 TSHR (0.55) TSHRSMN1; SMN2CYP2D6KDM4EHTR2A
SCHEMBL16565507 0.83 RORC (0.47) TSHRMGLL
SCHEMBL21078010 0.82 HTR2A (0.42) TSHRSMN1; SMN2CYP2D6HSD11B1KDM4E
SCHEMBL16553664 0.80 GRIN2D (0.46) TSHRSMN1; SMN2CYP2D6HSD11B1KDM4E
SCHEMBL17867827 0.79 SMN1; SMN2 (0.37) TSHRSMN1; SMN2GAACYP2D6HSD11B1
SCHEMBL18446124 0.77 KDM4E (0.44) TSHRSMN1; SMN2HSD11B1KDM4EADRB2
SCHEMBL16565682 0.76 KMT2A (0.43) TSHRSMN1; SMN2GAAHSD11B1KDM4E
Hydrochloric Acid SCHEMBL16553822 0.75 KMT2A (0.42) TSHRSMN1; SMN2GAAHSD11B1KDM4E
SCHEMBL3485901 0.72 HTR2A (0.71) GAAKDM4EHTR2AHTR2CKMT2A
SCHEMBL20399228 0.72 MGLL (0.48) TSHRSMN1; SMN2GAAHSD11B1KDM4E

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-105745209-B Triazolopyridine compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2018-10-23 — — CN disclosed
CN-105745209-A Triazolopyridine compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2016-07-06 — — CN disclosed
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