SCHEMBL9804680

SCHEMBL9804680

c1ccc2c(c1)ccc1ccnc(-c3ncc[nH]3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
PLA2G1B P04054 1/20 0.46
HSP90AA1 P07900 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
IDO1 P14902 1/20 0.43
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
ADRA2A P08913 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL31595661 0.87 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL1288464 0.87 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL2915225 0.75 MAPT (0.54) KMT2AMAPTSMN1; SMN2LMNANPC1
SCHEMBL14886220 0.73 CSNK1A1 (0.53) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL51007 0.71 ADRA2A (0.54) KMT2AMAPTMEN1SMN1; SMN2IDO1
SCHEMBL8118221 0.71 ADRA2A (0.50) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL31429565 0.71 ADRA2A (0.50) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL7397776 0.71 MAPT (0.50) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL597104 0.71 ADRA2A (0.50) KMT2AMAPTMEN1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28957351 0.70 ADRA2A (0.56) KMT2AMAPTMEN1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059607-A Suppresses vomiting induced by anti-cancer agents ONO-PHARMACEUTICAL CO., LTD. (JP) 1991-10-22 US disclosed