SCHEMBL10622852

SCHEMBL10622852

Cc1cc(C)cc(Nc2ccc(Nc3ccccc3)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ P2RY4 P51582 7/20 0.57
▸ P2RY12 Q9H244 7/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NAT1 P18440 2/20 0.52
▸ P2RY2 P41231 6/20 0.50
▸ P2RY6 Q15077 3/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ P2RY1 P47900 2/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL17342960 0.89 P2RY12 (0.60) MAPTTP53P2RY4P2RY12MEN1
SCHEMBL21817605 0.87 P2RY2 (0.58) MAPTTP53P2RY4P2RY12MEN1
SCHEMBL5187217 0.87 MAPT (0.59) MAPTTP53P2RY4P2RY12MEN1
SCHEMBL595104 0.87 P2RY12 (0.56) MAPTP2RY4P2RY12MEN1NPC1
SCHEMBL11576581 0.86 P2RY4 (0.63) MAPTTP53P2RY4P2RY12MEN1
SCHEMBL14600814 0.85 P2RY12 (0.55) MAPTP2RY4P2RY12MEN1NPC1
SCHEMBL7643321 0.84 P2RY12 (0.54) MAPTP2RY4P2RY12MEN1NPC1
SCHEMBL29352213 0.83 P2RY2 (0.60) MAPTTP53P2RY4P2RY12MEN1
SCHEMBL35556 0.83 P2RY2 (0.60) MAPTTP53P2RY4P2RY12MEN1
SCHEMBL11605977 0.83 P2RY12 (0.57) MAPTP2RY4P2RY12MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4746461-A Method for preparing 1,4-diaminoanthraquinones and intermediates thereof THE CLOROX COMPANY (US) 1988-05-24 — — US disclosed
US-4661293-A Method for preparing 1,4-diaminoanthraquinones and intermediates thereof THE CLOROX COMPANY (US) 1987-04-28 — — US disclosed
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