SCHEMBL5582405

SCHEMBL5582405

C1=C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2)C=C(c2ccccc2)NC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ HPGD P15428 9/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 7/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL20220310 0.91 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22838126 0.85 CYP19A1 (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL18436106 0.85 CYP19A1 (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL23334400 0.84 CYP19A1 (0.35) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL18904013 0.82 MEN1 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL23478976 0.79 KDM4E (0.35) HPGDALDH1A1MAPTKDM4E
SCHEMBL23478872 0.79 KDM4E (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13866584 0.79 HAO1 (0.32) —
SCHEMBL17306444 0.78 MEN1 (0.34) MEN1KMT2AHPGD
SCHEMBL16864140 0.78 ALDH1A1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT

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
EP-2452997-A2 COMPOUND FOR AN ORGANIC PHOTOELECTRIC ELEMENT, AND AN ORGANIC PHOTOELECTRIC ELEMENT COMPRISING THE SAME Cheil Industries Inc. (KR) 2012-05-16 — — EP disclosed
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