SCHEMBL7531708

SCHEMBL7531708

[CH2]C(Cc1ccc(-c2ccc([N+](=O)[O-])c(OC)c2)cc1COCCN1CCCCC1)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ LTA4H P09960 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7425609 0.94 ALDH1A1 (0.41) CHEK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7387732 0.89 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7386276 0.89 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7377148 0.89 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7383707 0.88 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7377488 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7385820 0.87 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7377888 0.78 KCNH2 (0.36) ALDH1A1KMT2ALTA4H
SCHEMBL7426015 0.76 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7421061 0.75 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E

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
EP-0993450-A1 NEW COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-19 — — EP disclosed
WO-1999001438-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 — — WO disclosed
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