SCHEMBL29560256

SCHEMBL29560256

C1=Cc2nc1c(-c1ccccn1)c1ccc([nH]1)c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1.[Ru].[Zn]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ METAP2 P50579 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ CCR1 P32246 2/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ CCR8 P51685 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ DOHH Q9BU89 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ TERT O14746 3/20 0.43

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
SCHEMBL9418754 0.98 KDM4E (0.45) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL29560659 0.98 KDM4E (0.45) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL29822398 0.96 KDM4E (0.46) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL432185 0.96 KDM4E (0.46) METAP1LMNASMN1; SMN2METAP2NPC1
Magnesium SCHEMBL9418766 0.95 KDM4E (0.45) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL601668 0.95 KDM4E (0.45) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL7571347 0.95 KDM4E (0.45) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL599851 0.95 KDM4E (0.45) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL31439451 0.90 CCR1 (0.42) METAP1LMNASMN1; SMN2METAP2NPC1
SCHEMBL25395411 0.89 TOP1 (0.51) SMN1; SMN2TERTHTTTOP1

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-111018895-B Tetrapyridyl porphyrin zinc-dimyristyl ruthenium complex as well as preparation and application thereof 中国科学院大连化学物理研究所 2022-05-31 — — CN claimed
CN-111018895-B Tetrapyridyl porphyrin zinc-dimyristyl ruthenium complex as well as preparation and application thereof 中国科学院大连化学物理研究所 2022-05-31 — — CN disclosed
Send feedback