SCHEMBL13422136

SCHEMBL13422136

Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
KDM4E B2RXH2 3/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL13422160 0.92 KMT2A (0.49) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422214 0.86 NPSR1 (0.53) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422211 0.86 NPSR1 (0.53) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422215 0.86 NPSR1 (0.54) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422209 0.85 NPC1 (0.53) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422216 0.84 KDM4E (0.51) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422207 0.84 NPSR1 (0.50) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422159 0.81 KDM4E (0.53) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL14432816 0.80 KDM4E (0.50) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL13422380 0.79 NPSR1 (0.42) KMT2ASMN1; SMN2HTTTSHRUSP2

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-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed