SCHEMBL31439451

SCHEMBL31439451

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.42
▸ CCR5 P51681 3/20 0.42
▸ CCR8 P51685 3/20 0.42
▸ METAP1 P53582 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ METAP2 P50579 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ TERT O14746 2/20 0.41
▸ CBFB Q13951 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ DOHH Q9BU89 1/20 0.41

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
SCHEMBL29822398 0.93 KDM4E (0.46) CCR1CCR5CCR8METAP1LMNA
SCHEMBL432185 0.93 KDM4E (0.46) CCR1CCR5CCR8METAP1LMNA
SCHEMBL601668 0.92 KDM4E (0.45) CCR1CCR5CCR8METAP1LMNA
SCHEMBL7571347 0.92 KDM4E (0.45) CCR1CCR5CCR8METAP1LMNA
SCHEMBL9418754 0.92 KDM4E (0.45) CCR1CCR5CCR8METAP1LMNA
SCHEMBL29560659 0.92 KDM4E (0.45) CCR1CCR5CCR8METAP1LMNA
SCHEMBL599851 0.92 KDM4E (0.45) CCR1CCR5CCR8METAP1LMNA
Magnesium SCHEMBL9418766 0.92 KDM4E (0.45) CCR1CCR5CCR8METAP1LMNA
SCHEMBL29560256 0.90 METAP1 (0.44) CCR1CCR5CCR8METAP1LMNA
SCHEMBL25395411 0.86 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-119935993-A Method for detecting medetomidine hydrochloride and analogues thereof by using metalloporphyrin 广东工业大学 2025-05-06 — — CN claimed
CN-119935993-A Method for detecting medetomidine hydrochloride and analogues thereof by using metalloporphyrin 广东工业大学 2025-05-06 — — CN disclosed
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