SCHEMBL17090339

SCHEMBL17090339

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNCc2ccc(-c3csnn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
KMT2A Q03164 2/20 0.40
MGLL Q99685 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.39
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSD P07339 1/20 0.36
ADAM17 P78536 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL17090102 0.86 PTPN1 (0.44) PTPN1KMT2AMGLLNPC1LMNA
SCHEMBL17090069 0.86 PKM (0.44) KMT2AMGLLNPC1LMNAPKM
SCHEMBL13203848 0.85 MDM2 (0.51) PTPN1KMT2AMGLLNPC1LMNA
SCHEMBL10113310 0.85 MDM2 (0.51) PTPN1KMT2AMGLLNPC1LMNA
SCHEMBL13203728 0.77 MDM2 (0.71) PTPN1KMT2ANPC1LMNAPKM
SCHEMBL10113120 0.77 MDM2 (0.71) PTPN1KMT2ANPC1LMNAPKM
SCHEMBL13565094 0.76 NPY5R (0.50)
SCHEMBL13564976 0.76 MEN1 (0.33) KMT2AHPGD
SCHEMBL17089975 0.76 PTPN1 (0.47) PTPN1KMT2AMGLLNPC1LMNA
SCHEMBL13565540 0.73 CNR2 (0.43) KMT2ANPC1LMNARAB9AHPGD

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