SCHEMBL9280239

SCHEMBL9280239

COc1cccc(NC(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
NLRP3 Q96P20 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
GRM5 P41594 1/20 0.42
FLT3 P36888 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL9278822 0.88 RAB9A (0.46) RXFP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9164713 0.85 MMP13 (0.48) SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL9164617 0.81 NPC1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9687941 0.79 EZH2 (0.40) NPC1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL9688086 0.78 HSD17B2 (0.46) RXFP1ALDH1A1KMT2AMEN1
SCHEMBL9687454 0.72 MEN1 (0.39) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL9687392 0.72 CYP1A2 (0.46) SMN1; SMN2ALDH1A1KMT2ATP53TSHR
SCHEMBL9688033 0.72 HTT (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9687391 0.72 HPGD (0.39) RXFP1NPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9688037 0.71 TSHR (0.49) RAB9ASMN1; SMN2ALDH1A1KMT2ATSHR

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-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed