SCHEMBL13869787

SCHEMBL13869787

Cc1c(-c2cnc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7ccc8ccccc8c7oc6=O)n5C)ccc3-4)cn2)c(=O)oc2ccc3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 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
SCHEMBL13869677 0.90 KDM4E (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13869720 0.87 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13869632 0.86 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13886434 0.84 MEN1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13869585 0.82 MAPT (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13869810 0.79 MEN1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13869816 0.74 KDM4E (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13869656 0.74 MAOB (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13869478 0.73 KDM4E (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13886324 0.72 MEN1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
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