SCHEMBL9639607

SCHEMBL9639607

CC(=O)Nc1cc(Cl)ccc1C(=O)C[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
PDE7A Q13946 1/20 0.45
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC9A1 P19634 1/20 0.41
G6PD P11413 1/20 0.40

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
SCHEMBL9640825 0.90 KDM4E (0.61) KDM4EHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8752479 0.80 CYP2C19 (0.53) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9641124 0.79 KMT2A (0.43) KDM4EHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7085464 0.78 CYP2C19 (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7089037 0.78 KMT2A (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7220888 0.77 MAPK1 (0.61) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7085041 0.76 KMT2A (0.50) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9640865 0.76 OR51E2 (0.47) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6750019 0.76 KDM4E (0.75) KDM4EHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31102464 0.76 KDM4E (0.75) KDM4EHSD17B10ALDH1A1KMT2ASMN1; 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 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