SCHEMBL18707477

SCHEMBL18707477

CN1CC2(C)CN(I)CC(C)(C1)C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL278340 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL26843211 0.72
SCHEMBL12854259 0.70 CRHBP (0.38) ALDH1A1
SCHEMBL13242280 0.70 NPSR1 (0.31) ALDH1A1
SCHEMBL13661983 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL24021303 0.69 POLB (0.36) ALDH1A1
SCHEMBL24073848 0.69
SCHEMBL270897 0.68 NPSR1 (0.44)
SCHEMBL1118150 0.68 NPSR1 (0.44)
SCHEMBL16472610 0.67 MAPT (0.30)

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-9611260-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed