SCHEMBL203279

SCHEMBL203279

C[C@@H](CCNC(=O)O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
SIGMAR1 Q99720 1/20 0.56
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
BCHE P06276 1/20 0.48
ATM Q13315 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
OPRK1 P41145 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL31127843 0.82 SIGMAR1 (0.63) L3MBTL1SIGMAR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL536907 0.82 SIGMAR1 (0.63) L3MBTL1SIGMAR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2852187 0.77 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4849306 0.77 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4855673 0.77 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL172531 0.77 SIGMAR1 (0.66) SIGMAR1SMN1; SMN2MAPTBCHEATM
SCHEMBL10451642 0.77 BCHE (0.71) L3MBTL1SIGMAR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11096038 0.77 BCHE (0.71) L3MBTL1SIGMAR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9273603 0.76 SIGMAR1 (0.51) L3MBTL1SIGMAR1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9202671 0.76 SIGMAR1 (0.51) L3MBTL1SIGMAR1KMT2AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed