SCHEMBL18722239

SCHEMBL18722239

CCC(C)c1nnc(C(C)C)n1N

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9524056 0.83 GAA (0.38) SMN1; SMN2ALDH1A1
SCHEMBL20153674 0.74 CYP1A2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL20419209 0.65 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14173448 0.65 KDM4E (0.47) ALDH1A1
SCHEMBL8456024 0.65 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28571053 0.64 KDM4E (0.43) SMN1; SMN2ALDH1A1
SCHEMBL1204821 0.64 TDP1 (0.44)
SCHEMBL27375727 0.63 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL28195821 0.61 CHRNB2 (0.31)
SCHEMBL22882988 0.61 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1

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-9617291-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-04-11 US disclosed