SCHEMBL21479976

SCHEMBL21479976

Cc1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccc(-c2ccc4[nH]c5cc6c([nH]c7ccc(-c8ccc9[nH]c%10cc%11c(cc%10c9c8)[nH]c8ccccc8%11)cc76)c(C=O)c5c4c2)cc13

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 1/20 0.65
KIF11 P52732 6/20 0.51
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 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
SCHEMBL21479869 0.90 AHR (0.82) AHRMEN1KMT2AMAPTKIF11
SCHEMBL528520 0.80 AHR (1.00) AHRMEN1KMT2AMAPTKIF11
SCHEMBL29440653 0.80 AHR (1.00) AHRMEN1KMT2AMAPTKIF11
SCHEMBL17523328 0.78 MEN1 (0.54) AHRMEN1KMT2AMAPTROCK2
SCHEMBL21479889 0.77 AHR (0.58) AHRMEN1KMT2AMAPTKIF11
SCHEMBL17523327 0.76 MEN1 (0.55) AHRMEN1KMT2AMAPTGABRP
SCHEMBL19346259 0.74 KIF11 (0.92) AHRMEN1KMT2AMAPTKIF11
SCHEMBL21479879 0.74 KIF11 (0.68) AHRMEN1KMT2AMAPTKIF11
SCHEMBL19773148 0.73 KIF11 (0.66) AHRMEN1KMT2AMAPTKIF11
SCHEMBL17523326 0.72 AHR (0.67) AHRMEN1KMT2AMAPTKIF11

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
WO-2019200232-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF EINZIGER MICHAEL (US) 2019-10-17 WO disclosed