Sugi Predict

Sugi Predict / Compounds / SCHEMBL28062944

SCHEMBL28062944

SCHEMBL28062944

C1=CC2=C(c3ccccc3)C3=NC(=C(c4ccccc4)C4=NC(=C(c5ccccc5)C5=NC(=C(c6ccccc6)C1=N2)C=C5)C=C4)C=C3.N=[N+]=N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL7996476 0.90 ALDH1A1 (0.35) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL28807262 0.90 ALDH1A1 (0.35) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL28180007 0.90 ALDH1A1 (0.35) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL2517442 0.90 ALDH1A1 (0.35) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL27979361 0.90 ALDH1A1 (0.35) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL14562749 0.90 ALDH1A1 (0.35) ALDH1A1NPC1MAPK1RAB9A
Trimethylammonium SCHEMBL8994460 0.84 GSK3B (0.35) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL27838898 0.82 NOTUM (0.52) ALDH1A1NPC1MAPK1RAB9A
SCHEMBL27654960 0.82 CYP1A1 (0.34) —
SCHEMBL14080751 0.82 NOTUM (0.52) ALDH1A1NPC1MAPK1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418940-B A kind of method for preparing the siliceous polyamide-amide that porphyrin is core 江苏大学 2018-04-24 — — CN disclosed
CN-105418940-A Method for preparing silicon-containing polyamide-amine with porphyrin as core UNIV JIANGSU 2016-03-23 — — CN disclosed
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