SCHEMBL8551947

SCHEMBL8551947

C=CCc1ccccc1Nc1ccc(Nc2ccccc2CC=C)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 3/20 0.44
▸ P2RY2 P41231 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NSD2 O96028 2/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39

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
Anthraquinone SCHEMBL8910423 0.98 CYP1A2 (0.45) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL1906939 0.87 GABRA1 (0.42) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL10761705 0.82 CYP1A2 (0.50) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL176287 0.82 ADRA2C (0.47) CYP1A2KMT2AMEN1GABRA1GABRB2
SCHEMBL8089156 0.81 MAPT (0.49) CYP1A2KMT2AMEN1GABRA1GABRB2
SCHEMBL11575989 0.81 P2RY12 (0.46) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL14860870 0.81 P2RY2 (0.61) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL13370366 0.80 P2RY2 (0.39) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL8551952 0.78 NPC1 (0.56) P2RY4P2RY2CYP1A2KMT2AMEN1
SCHEMBL5537082 0.77 P2RY4 (0.51) P2RY4P2RY2CYP1A2KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625552-B1 Water-reducible dye compositions MORTON INT INC (US) 1999-01-07 — — EP disclosed
EP-0625552-A1 Water-reducible dye compositions MORTON INTERNATIONAL, INC. (US) 1994-11-23 — — EP disclosed
US-5312624-A Sanitizing drains by dispensing chemicals in housings ECOLAB INC. (US) 1994-05-17 — — US disclosed
US-5019346-A Drain treatment product and method of use ECOLAB INC. (US) 1991-05-28 — — US disclosed
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