SCHEMBL13238422

SCHEMBL13238422

CN1C(=Cc2ccccc2)N(C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ CISD1 Q9NZ45 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ APP P05067 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31613806 0.72 ERBB2 (0.57) MAPTEP300CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4351921 0.72 ERBB2 (0.57) MAPTEP300CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13636983 0.71 — —
SCHEMBL482716 0.71 MAOA (0.60) MAOAMAPTLMNAALDH1A1GAA
SCHEMBL29390564 0.71 MAOA (0.60) MAOAMAPTLMNAALDH1A1GAA
SCHEMBL4571020 0.71 MAOA (0.60) MAOAMAPTLMNAALDH1A1GAA
SCHEMBL9505061 0.70 TRPA1 (0.42) HDAC1ALDH1A1TSHR
SCHEMBL10623284 0.68 LMNA (0.50) MAOAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL13238427 0.67 MAPT (0.45) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL7432799 0.67 EP300 (0.62) CISD1MAOAMAOBMAPTEP300

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
US-7758897-B2 Method for the production of metal complexes EVONIK OXENO GMBH (DE) 2010-07-20 — — US disclosed
US-7758897-B2 Method for the production of metal complexes EVONIK OXENO GMBH (DE) 2010-07-20 — — US disclosed
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