SCHEMBL5010054

SCHEMBL5010054

CCN(CC)c1ccc(Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.53
▸ LOXL2 Q9Y4K0 2/20 0.50
▸ SAE1 Q9UBE0 1/20 0.49
▸ UBA2 Q9UBT2 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALDH3A1 P30838 1/20 0.46
▸ ALDH1A3 P47895 1/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GFER P55789 2/20 0.44

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
SCHEMBL63804 0.90 ALDH1A1 (0.52) CYP2A6LOXL2ALDH1A1MEN1KMT2A
SCHEMBL1655689 0.84 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL12636510 0.80 PGR (0.48) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21594513 0.80 ALDH1A1 (0.53) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21594521 0.80 ALDH1A1 (0.53) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6716916 0.80 MAPT (0.55) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5665672 0.80 CYP19A1 (0.47) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6716922 0.80 MAPT (0.55) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1344068 0.79 LOXL2 (0.65) CYP2A6LOXL2SAE1UBA2ALDH1A1
SCHEMBL6802215 0.78 CYP19A1 (0.58) CYP2A6ALDH1A1MEN1KMT2AKDM4E

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-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 — — US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 — — US disclosed
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