SCHEMBL21441236

SCHEMBL21441236

C=C(CCC(=C)c1ncccn1)c1ccc2[nH]cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 3/20 0.40
▸ WNT3A P56704 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NAMPT P43490 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CASP6 P55212 1/20 0.32
▸ QPCT Q16769 3/20 0.32
▸ QPCTL Q9NXS2 2/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL21441134 0.86 CTNNB1 (0.51) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441296 0.85 CTNNB1 (0.42) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441154 0.84 CTNNB1 (0.38) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441284 0.83 NAMPT (0.44) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441397 0.82 QPCT (0.40) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441188 0.82 HTT (0.44) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441203 0.81 CTNNB1 (0.41) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441252 0.81 ALPL (0.42) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441240 0.81 CTNNB1 (0.36) CTNNB1WNT3AKDM4EALDH1A1HTT
SCHEMBL21441405 0.81 CTNNB1 (0.37) CTNNB1WNT3AKDM4EALDH1A1HTT

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
EP-3206686-B1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED LLC (US) 2019-10-09 — — EP disclosed
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