SCHEMBL21441254

SCHEMBL21441254

C=C(CCC(=C)c1ccncn1)c1ccc2[nH]cnc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 4/20 0.34
▸ WNT3A P56704 4/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NAMPT P43490 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
SCHEMBL21441154 0.85 CTNNB1 (0.38) CTNNB1WNT3AHDAC6KDM4EALDH1A1
SCHEMBL21441296 0.84 CTNNB1 (0.42) CTNNB1WNT3AHDAC6KDM4EALDH1A1
SCHEMBL21441405 0.82 CTNNB1 (0.37) CTNNB1WNT3AHDAC6KDM4EALDH1A1
SCHEMBL15980127 0.80 CTNNB1 (0.56) CTNNB1WNT3AP2RX7HDAC6KDM4E
SCHEMBL21441232 0.80 CTNNB1 (0.46) CTNNB1WNT3AHDAC6RAB9A
SCHEMBL21441236 0.79 CTNNB1 (0.40) CTNNB1WNT3AHDAC6KDM4EALDH1A1
SCHEMBL21441276 0.79 CTNNB1 (0.39) CTNNB1WNT3AP2RX7HDAC6KDM4E
SCHEMBL21441134 0.79 CTNNB1 (0.51) CTNNB1WNT3AHDAC6KDM4EALDH1A1
SCHEMBL21441284 0.79 NAMPT (0.44) CTNNB1WNT3AHDAC6KDM4EALDH1A1
SCHEMBL21441188 0.78 HTT (0.44) CTNNB1WNT3AHDAC6KDM4EALDH1A1

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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