SCHEMBL7935225

SCHEMBL7935225

C=Cc1ccc(CNCCNCCNCCN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.45
MC5R P33032 2/20 0.45
CHRM2 P08172 6/20 0.42
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
ALOX15 P16050 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
Hydrochloric Acid SCHEMBL7123283 0.98 MC4R (0.44) MC4RMC5RCHRM2TDP1MEN1
SCHEMBL4017967 0.96 MC4R (0.47) MC4RMC5RCHRM2TDP1MEN1
Hydrochloric Acid SCHEMBL7127056 0.95 MC4R (0.46) MC4RMC5RCHRM2TDP1MEN1
Hydrochloric Acid SCHEMBL16241677 0.95 MC4R (0.46) MC4RMC5RCHRM2TDP1MEN1
SCHEMBL4851798 0.90 MC4R (0.47) MC4RMC5RCHRM2MEN1KMT2A
SCHEMBL4159439 0.89 ALDH1A1 (0.50) CHRM2TDP1MEN1KMT2ASIGMAR1
SCHEMBL13926497 0.87 CHRM2 (0.50) CHRM2TDP1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7047762 0.87 MEN1 (0.48) CHRM2TDP1MEN1KMT2ALMNA
SCHEMBL9748097 0.84 SIGMAR1 (0.50) TDP1MEN1KMT2ASIGMAR1LMNA
SCHEMBL14275024 0.83 MAOA (0.55) CHRM2SIGMAR1LMNAALDH1A1MAOA

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-6248842-B1 CROSSLINKED POLYMER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2001-06-19 US disclosed