SCHEMBL21441403

SCHEMBL21441403

C=C(CCC(=C)c1ccc2[nH]ncc2c1)c1ccnnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.49
▸ WNT3A P56704 7/20 0.49
▸ ROCK2 O75116 4/20 0.41
▸ NOS1 P29475 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CLK1 P49759 2/20 0.40
▸ MAOB P27338 3/20 0.39
▸ GSK3B P49841 2/20 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
SCHEMBL21441341 0.87 CLK1 (0.51) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441401 0.84 CTNNB1 (0.53) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441262 0.83 CTNNB1 (0.66) CTNNB1WNT3AROCK2RAB9AROCK1
SCHEMBL21441365 0.82 CTNNB1 (0.54) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441407 0.82 CTNNB1 (0.50) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441263 0.82 CTNNB1 (0.67) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441367 0.82 CTNNB1 (0.67) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441343 0.81 CTNNB1 (0.50) CTNNB1WNT3AROCK2NOS1RAB9A
SCHEMBL21441386 0.81 CTNNB1 (0.45) CTNNB1WNT3ARAB9AGAAMAPT
SCHEMBL15980157 0.81 CTNNB1 (0.71) CTNNB1WNT3AROCK2RAB9AROCK1

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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