SCHEMBL19681304

SCHEMBL19681304

CCC(C)C(NCCN)C(C)CC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
CA12 O43570 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL20970473 0.86 CASP2 (0.35) MEN1CA12CA6CA7RECQL
SCHEMBL21799660 0.80 MEN1 (0.30) MEN1CA12CA6CA7RECQL
SCHEMBL10064295 0.76 CA12 (0.35) MEN1CA12CA6CA7RECQL
SCHEMBL25776708 0.74
SCHEMBL3013220 0.74
SCHEMBL14065653 0.74
SCHEMBL3470018 0.72 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL6449754 0.70 CA12 (0.35) MEN1CA12CA6CA7RECQL
SCHEMBL14248905 0.70
SCHEMBL28629617 0.70 ENPEP (0.38)

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-2017207356-A1 METHOD TO IMPROVE THE SURFACE MODIFICATION BY USING ALKYLBORANES BASF SE (DE) 2017-12-07 WO disclosed