SCHEMBL8945864

SCHEMBL8945864

Cc1ccsc1C(=O)C(=CN(C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.46
HPD P32754 3/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KCNMA1 Q12791 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL8945860 1.00 PARP14 (0.46) PARP14HPDLMNAMAPTNPC1
SCHEMBL8945792 0.82 ALDH1A1 (0.46) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL8945795 0.82 ALDH1A1 (0.46) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL8946180 0.75 PARP14 (0.47) PARP14HPDLMNAMAPTNPC1
SCHEMBL8488686 0.71 GAA (0.66) HPDLMNAMAPTRAB9AMEN1
SCHEMBL8488684 0.71 GAA (0.66) HPDLMNAMAPTRAB9AMEN1
SCHEMBL4658862 0.69 HPD (0.62) HPDMAPTMEN1KMT2AHPGD
SCHEMBL5452045 0.68 HPD (0.60) HPDLMNAMAPTMEN1KMT2A
SCHEMBL442397 0.68 HPD (0.60) HPDLMNAMAPTMEN1KMT2A
SCHEMBL8490985 0.68 HPD (0.52) HPDLMNAMAPTMEN1KMT2A

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