SCHEMBL9639610

SCHEMBL9639610

CC(=O)Nc1cccc(C(=O)C(Cl)[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.49
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CRHR1 P34998 1/20 0.43

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
SCHEMBL9640832 0.82 MAPT (0.49) SMN1; SMN2HTTTP53NPC1LMNA
SCHEMBL28029397 0.82 ALDH1A1 (0.54) SMN1; SMN2RAB9ATP53NPC1LMNA
SCHEMBL8752498 0.77 TSHR (0.51) SMN1; SMN2RAB9ATP53NPC1LMNA
SCHEMBL8209654 0.77 ALDH1A1 (0.55) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2
SCHEMBL27744090 0.76 ALDH1A1 (0.54) SMN1; SMN2RAB9ATP53NPC1LMNA
SCHEMBL474709 0.75 KMT2A (0.70) SMN1; SMN2RAB9ATP53NPC1LMNA
SCHEMBL10390652 0.75 ALDH1A1 (0.53) SMN1; SMN2RAB9ATP53NPC1LMNA
SCHEMBL8752521 0.74 SMN1; SMN2 (0.57) SMN1; SMN2HTTRAB9ATP53NPC1
SCHEMBL8215714 0.74 KCNJ5 (0.47) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL2328579 0.74 ALDH1A1 (0.59) SMN1; SMN2RAB9ATP53NPC1LMNA

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
EP-0339411-B1 PROCESS FOR THE PREPARATION OF QUINOXALONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-12 EP disclosed
EP-0339411-A1 Process for the preparation of quinoxalones HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-02 EP disclosed