SCHEMBL6866402

SCHEMBL6866402

CCCCCCCCCCCN.NCCCO

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.72
ALDH1A1 P00352 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
TSHR P16473 2/20 0.72
EPHX1 P07099 1/20 0.72
LMNA P02545 2/20 0.63
HSD17B10 Q99714 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL6866081 1.00 DNM1 (0.72) DNM1ALDH1A1MEN1KMT2ATSHR
Butyl Alcohol SCHEMBL19987673 0.97 DNM1 (0.77) DNM1ALDH1A1MEN1KMT2ATSHR
Butyl Alcohol SCHEMBL27902122 0.97 DNM1 (0.77) DNM1ALDH1A1MEN1KMT2ATSHR
Octanol SCHEMBL29260909 0.94 DNM1 (0.72) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL17704124 0.94 DNM1 (0.72) DNM1ALDH1A1MEN1KMT2ATSHR
Dodecylamine SCHEMBL15529020 0.94 DNM1 (0.72) DNM1ALDH1A1MEN1KMT2ATSHR
Diaminooctane SCHEMBL29260856 0.94 DNM1 (0.72) DNM1ALDH1A1MEN1KMT2ATSHR
Butyl Alcohol SCHEMBL11656029 0.94 DNM1 (0.78) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL8107851 0.94 DNM1 (0.72) DNM1ALDH1A1MEN1KMT2ATSHR
1-Hexanol SCHEMBL8983228 0.94 DNM1 (0.72) 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-6806289-B1 SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-19 US disclosed