Sugi Predict

Sugi Predict / Compounds / SCHEMBL9577425

SCHEMBL9577425

SCHEMBL9577425

NCCCCCCCN(CCCNCc1ccccc1)CCCNCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.59
▸ CHRM2 P08172 1/20 0.58
▸ SIGMAR1 Q99720 3/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL21799882 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL4597657 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL9766684 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8499135 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7804948 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21800068 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21799465 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL21799782 0.86 MAOA (0.80) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL7206733 0.86 MAOA (0.53) MAOACHRM2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL29778288 0.84 MAOA (0.77) MAOACHRM2SIGMAR1MEN1KMT2A

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-5270037-A Use of interferon and a substance with an antimalarial activity for the treatment of malaria infections BOEHRINGER INGELHEIM GMBH (DE) 1993-12-14 — — US disclosed