SCHEMBL7680246

SCHEMBL7680246

CCC(CCCN)C(C)CCN

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRR1 P24046 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19790017 0.88 ALDH1A1 (0.43) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL18330665 0.88 DNM1 (0.32) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL12138371 0.88 DNM1 (0.32) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL31333162 0.87 DNM1 (0.35) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL23027392 0.85 DNM1 (0.33) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL18710645 0.85 GABRR1 (0.35) GABRR1
SCHEMBL26720171 0.85 DNM1 (0.36) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL26027157 0.83 LMNA (0.34) ALDH1A1GABRR1TDP1
SCHEMBL24347628 0.81 DNM1 (0.36) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL24058373 0.80 DNM1 (0.33) DNM1ALDH1A1MEN1KMT2ATSHR

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-6417356-B1 MIXTURE WITH AMINE OR POLYAMINE; CURING AGENTS; STORAGE STABILITY ISP INVESTMENTS INC. 2002-07-09 US disclosed