SCHEMBL21441405

SCHEMBL21441405

C=C(CCC(=C)c1ccc2[nH]cnc2c1)c1cncnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.37
▸ WNT3A P56704 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ QPCT Q16769 1/20 0.31
▸ QPCTL Q9NXS2 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ SMYD3 Q9H7B4 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
SCHEMBL21441284 0.85 NAMPT (0.44) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441154 0.84 CTNNB1 (0.38) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441134 0.83 CTNNB1 (0.51) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441397 0.82 QPCT (0.40) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441188 0.82 HTT (0.44) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441254 0.82 CTNNB1 (0.34) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441240 0.81 CTNNB1 (0.36) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL15980125 0.81 CTNNB1 (0.56) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441236 0.81 CTNNB1 (0.40) CTNNB1WNT3AHDAC6KDM4EHTT
SCHEMBL21441252 0.78 ALPL (0.42) CTNNB1WNT3AHDAC6KDM4EHTT

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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