SCHEMBL17090294

SCHEMBL17090294

CC(=O)Nc1ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NPY5R Q15761 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13564735 1.00 LMNA (0.43) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL17090296 0.89 POLB (0.41) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13564937 0.89 POLB (0.41) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17090128 0.88 MEN1 (0.43) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13565746 0.88 MEN1 (0.43) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13213210 0.86 ALDH1A1 (0.39) TP53CYP3A4ALDH1A1HPGDNPY5R
SCHEMBL17090364 0.85 LMNA (0.51) LMNAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL13565317 0.85 LMNA (0.51) LMNAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17090359 0.85 ALDH1A1 (0.39) LMNAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL17090109 0.85 ALDH1A1 (0.39) ALDH1A1NPY5R

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed