SCHEMBL21960705

SCHEMBL21960705

CC1C/C=C\CCCCCCC(C)CN(C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL16914815 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3865730 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5974304 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3859032 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3868800 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16914892 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5974299 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21596745 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3865732 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3868799 0.82 ALDH1A1 (0.30) ALDH1A1

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-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed