SCHEMBL5031157

SCHEMBL5031157

NC(=O)C1(C(=O)N2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3551350 0.98 HSD11B1 (0.41) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28543459 0.94 MEN1 (0.43) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7176021 0.94 MEN1 (0.43) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5027626 0.93 HSD11B1 (0.36) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30635290 0.79 HSD11B1 (0.46) HSD11B1MEN1KMT2ALMNA
SCHEMBL5031121 0.79 GAA (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL28546286 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4562587 0.75 RBP4 (0.31) HSD11B1
SCHEMBL22725318 0.74 MEN1 (0.40) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5031162 0.73 HSD11B1 (0.45) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2

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
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed