SCHEMBL21783729

SCHEMBL21783729

CN(N)c1c(N)cccc1C(C=O)N1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31
ATM Q13315 1/20 0.30

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
Hydrochloric Acid SCHEMBL4811226 0.79 KEAP1 (0.38) KEAP1
SCHEMBL21783693 0.77 LMNA (0.46) ATM
SCHEMBL21783632 0.69 CYP3A4 (0.40)
SCHEMBL12068491 0.62 CYP1A2 (0.55)
SCHEMBL8872239 0.62 CYP1A2 (0.55)
SCHEMBL15272244 0.62 CPN1 (0.36)
SCHEMBL13293355 0.61 CYP1A2 (0.57)
SCHEMBL8097811 0.61 CYP1A2 (0.57)
SCHEMBL11292507 0.60 ACHE (0.44)
SCHEMBL8797214 0.60 CYP1A2 (0.40) KEAP1

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
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed