SCHEMBL28133604

SCHEMBL28133604

Cc1cc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ POLB P06746 3/20 0.50
▸ ADORA2A P29274 3/20 0.50
▸ CSNK1A1 P48729 2/20 0.50
▸ CSNK1D P48730 2/20 0.50
▸ CSNK1G1 Q9HCP0 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ PABPC1 P11940 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ PLEC Q15149 1/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ FGR P09769 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ HIPK2 Q9H2X6 1/20 0.50

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
SCHEMBL28085383 0.86 MEN1 (0.57) MEN1KMT2APOLBCSNK1A1CSNK1D
SCHEMBL28133640 0.83 MAPT (0.53) MEN1KMT2APOLBSMN1; SMN2TDP1
SCHEMBL4162091 0.82 ADORA2A (0.61) MEN1KMT2APOLBADORA2ACSNK1A1
SCHEMBL1994395 0.81 P2RY12 (0.60) MEN1KMT2APOLBADORA2ACSNK1A1
SCHEMBL10809232 0.81 P2RY4 (0.60) MEN1KMT2APOLBADORA2ACSNK1A1
SCHEMBL5718104 0.80 P2RY4 (0.62) MEN1KMT2AADORA2ACSNK1A1CSNK1D
SCHEMBL29527792 0.80 ADORA2A (0.63) MEN1KMT2APOLBADORA2ACSNK1A1
SCHEMBL30918998 0.80 ADORA2A (0.63) MEN1KMT2APOLBADORA2ACSNK1A1
SCHEMBL169365 0.80 ADORA2A (0.63) MEN1KMT2APOLBADORA2ACSNK1A1
SCHEMBL7037057 0.80 ADORA2A (0.73) MEN1KMT2APOLBADORA2ACSNK1A1

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
CN-106537255-A Anthraquinone Compounds for Color Filters of LCDs 陶氏环球技术有限责任公司 2017-03-22 — — CN disclosed
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