SCHEMBL9197345

SCHEMBL9197345

[CH2]CNC(=NC#N)NCC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33

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
SCHEMBL9965490 0.89 MCL1 (0.39) MCL1
SCHEMBL9353813 0.81
SCHEMBL9353816 0.81
SCHEMBL11477580 0.78
SCHEMBL13670700 0.78
SCHEMBL14773217 0.78
SCHEMBL7746821 0.78 MCL1 (0.36) MCL1
SCHEMBL2760175 0.78 MCL1 (0.32) MCL1
SCHEMBL7746825 0.78 MCL1 (0.36) MCL1
SCHEMBL13645695 0.76 MCL1 (0.31) MCL1

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-0639192-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS. JANSSEN PHARMACEUTICA NV (BE) 1995-02-22 EP disclosed