SCHEMBL7260293

SCHEMBL7260293

CN1CCN(C(=O)c2cc(N)cc3c2OCCCO3)CC1.Nc1cc2c(c(C(=O)O)c1)OCCCO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HRH4 Q9H3N8 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HTT P42858 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
SCHEMBL6368985 0.95 HPGD (0.46) L3MBTL1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL11269666 0.90 HPGD (0.51) L3MBTL1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL6368587 0.85 HPGD (0.55) HPGDSMN1; SMN2KMT2AHSP90AA1TSHR
SCHEMBL6368753 0.84 HPGD (0.57) HPGDSMN1; SMN2KMT2ALMNAHSP90AA1
SCHEMBL6374647 0.83 SMN1; SMN2 (0.50) HPGDSMN1; SMN2KMT2ATP53ALOX15
SCHEMBL6369872 0.83 HPGD (0.46) L3MBTL1HPGDSMN1; SMN2HSP90AA1TP53
SCHEMBL7261988 0.82 L3MBTL1 (0.50) L3MBTL1HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL6369845 0.81 HPGD (0.44) HPGDSMN1; SMN2KMT2ATP53ALOX15
SCHEMBL9053612 0.78 KDM4E (0.42) L3MBTL1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL6374559 0.77 L3MBTL1 (0.54) L3MBTL1HPGDSMN1; SMN2KMT2AALDH1A1

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
WO-2003072570-A1 ANTIDIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed