SCHEMBL21541940

SCHEMBL21541940

CC1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)N1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
RAB9A P51151 1/20 0.71
CHRNB4 P30926 4/20 0.56
CHRNA3 P32297 4/20 0.56
CHRNB2 P17787 3/20 0.56
CHRNA4 P43681 3/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.45
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL2725735 1.00 MAPT (0.72) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL29437403 1.00 MAPT (0.72) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL1392965 0.87 MAPT (0.89) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL2723171 0.83 MAPT (1.00) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL4825456 0.83 MAPT (1.00) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL31072982 0.83 MAPT (0.64) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL5380119 0.83 MAPT (0.64) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL29437400 0.83 MAPT (1.00) MAPTRAB9ACHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL5036857 0.82 MAPT (0.63) MAPTRAB9ACHRNB4CHRNA3CHRNB2
SCHEMBL29742107 0.81 MAPT (0.69) MAPTRAB9ACHRNB4CHRNA3CHRNB2

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
EP-3567042-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2019-11-13 EP disclosed