SCHEMBL7142972

SCHEMBL7142972

COCN1c2cc(/C=C/C(=O)N3CCCCC3)ccc2Sc2nccnc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
TRPV1 Q8NER1 3/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PELI1 Q96FA3 2/20 0.42
MAOB P27338 4/20 0.42
BCHE P06276 3/20 0.42
MAOA P21397 3/20 0.42
ACHE P22303 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6747667 0.85 KDM4E (0.40) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL6747666 0.85 KDM4E (0.40) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL6752012 0.84 HDAC6 (0.37) ALDH1A1KMT2AKDM4EPELI1MEN1
SCHEMBL6752015 0.84 HDAC6 (0.37) ALDH1A1KMT2AKDM4EPELI1MEN1
SCHEMBL6747150 0.82 HDAC6 (0.35) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL6747151 0.82 HDAC6 (0.35) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL8319484 0.80 HDAC6 (0.42) APPL3MBTL1POLBMAPT
SCHEMBL8319481 0.80 HDAC6 (0.42) APPL3MBTL1POLBMAPT
SCHEMBL6749215 0.79 HDAC6 (0.34) ALDH1A1
SCHEMBL6749216 0.79 HDAC6 (0.34) ALDH1A1

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed