SCHEMBL9259478

SCHEMBL9259478

Cn1nc(-c2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
S1PR2 O95136 1/20 0.48
TDP2 O95551 1/20 0.48
S1PR4 O95977 1/20 0.48
RAF1 P04049 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
S1PR1 P21453 1/20 0.48
CTNNB1 P35222 1/20 0.48

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
SCHEMBL9253485 0.80 HSD11B1 (0.49) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL7652843 0.80 NR1H2 (0.50) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL7306147 0.79 MAPT (0.50) NOTUMMEN1KMT2ALMNAALDH1A1
SCHEMBL3099989 0.79 LMNA (0.49) NOTUMMEN1KMT2ALMNAALDH1A1
SCHEMBL8235255 0.77 TSHR (0.43) LMNAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL9354103 0.74 ALDH1A1 (0.55) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL8235862 0.72 TSHR (0.62) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL9196239 0.72 HSD11B1 (0.61) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL3921034 0.72 KMT2A (0.51) NOTUMMEN1KMT2ALMNAALDH1A1
SCHEMBL1347557 0.68 ADORA2A (0.73) HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US claimed
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US disclosed
US-4847276-A CARDIOVASCULAR DISORDERS MERRELL DOW PHARMACEUTICALS INC. 1989-07-11 US disclosed