SCHEMBL13869339

SCHEMBL13869339

CCCc1ccc2c(ccc3oc(=O)c(-c4cnc(-c5ccc(-c6ccc(-c7cccc(-c8cc9ccccc9oc8=O)c7)cc6)cc5)cn4)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.40
▸ SMN1; SMN2 Q16637 9/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GAPDH P04406 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ MAOB P27338 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL13869284 0.84 KDM4E (0.43) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13869476 0.83 KDM4E (0.37) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13869237 0.83 KDM4E (0.44) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13869319 0.79 MAOB (0.42) KDM4EHPGDMEN1KMT2AGLA
SCHEMBL13869509 0.78 MAOB (0.39) KDM4EHPGDMEN1KMT2AGLA
SCHEMBL13869459 0.77 PIM1 (0.41) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13869839 0.75 KDM4E (0.37) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13869282 0.74 ALDH1A1 (0.50) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13869640 0.73 MAOB (0.44) KDM4EHPGDMEN1KMT2AGLA
SCHEMBL13869828 0.73 ALDH1A1 (0.42) KDM4ESMN1; SMN2HPGDMEN1KMT2A

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