SCHEMBL8945754

SCHEMBL8945754

CC(=O)ON=C(Cc1ccccc1[N+](=O)[O-])c1sccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.41
ESR2 Q92731 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPN1 P18031 1/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Acetic Acid SCHEMBL8945749 0.85 KMT2A (0.46) KMT2AMEN1MAPTRAB9ANPC1
Acetic Acid SCHEMBL8945755 0.85 KMT2A (0.46) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8945961 0.85 KMT2A (0.47) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8945954 0.85 KMT2A (0.47) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9583552 0.83 MEN1 (0.51) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9582618 0.83 MEN1 (0.50) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9583109 0.81 PKM (0.60) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8945794 0.81 KMT2A (0.53) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9583436 0.80 KMT2A (0.49) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL9583475 0.77 MEN1 (0.44) KMT2AMEN1MAPTRAB9ANPC1

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed
US-5292760-A 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-08 US disclosed