SCHEMBL6180241

SCHEMBL6180241

O=C(O)C(O)(CO)N(O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
HSP90AA1 P07900 1/20 0.34
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL421668 1.00 NPSR1 (0.39) NPSR1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL5669770 0.83 ALDH1A1 (0.44) NPSR1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL5669762 0.83 ALDH1A1 (0.44) NPSR1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL28831319 0.83
SCHEMBL6834107 0.81 SMN1; SMN2 (0.47) NPSR1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL25251559 0.79 ALDH1A1 (0.40) NPSR1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL14691647 0.75 NPSR1 (0.44) NPSR1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL25291595 0.74 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1CYP3A4ALDH1A1
SCHEMBL1938436 0.74 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1CYP3A4ALDH1A1
SCHEMBL3679031 0.74 RIPK1 (0.42) NPSR1KMT2ASMN1; SMN2MEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107921237-A Sympathetic nerve cardiopulmonary neural modulation system and method 反射医学公司 2018-04-17 CN disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO disclosed