SCHEMBL8945954

SCHEMBL8945954

Cc1ccsc1/C(Cc1ccccc1[N+](=O)[O-])=N\O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.47
MEN1 O00255 8/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8945961 1.00 KMT2A (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL8945755 0.95 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL8945749 0.95 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8945754 0.85 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8945794 0.83 KMT2A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9582704 0.79 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9582711 0.79 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9582990 0.78 MEN1 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL11109031 0.76 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL9583560 0.76 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; 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
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