SCHEMBL6535406

SCHEMBL6535406

Cc1cccc(Nc2ccc(C)c3c2C2(OC3=O)c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
ADORA2A P29274 1/20 0.38
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY6 Q15077 1/20 0.37
P2RY12 Q9H244 1/20 0.37
BRD4 O60885 1/20 0.37
KAT2B Q92831 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCB P05771 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL387083 0.91 NPSR1 (0.38) NPSR1LMNAADORA2AP2RY2P2RY4
SCHEMBL3974160 0.91 ALDH1A1 (0.39) NPSR1LMNAP2RY12BRD4KAT2B
SCHEMBL11023595 0.89 NPC1 (0.39) NPSR1LMNAP2RY2P2RY4ALDH1A1
SCHEMBL10640419 0.88 P2RY2 (0.38) NPSR1LMNAP2RY2P2RY4ALDH1A1
SCHEMBL6535579 0.88 LMNA (0.41) NPSR1LMNAP2RY2P2RY4ALDH1A1
SCHEMBL5680376 0.85 LMNA (0.40) NPSR1LMNAADORA2AP2RY2P2RY4
SCHEMBL387762 0.84 PRKCB (0.36) NPSR1LMNAADORA2AP2RY2P2RY4
SCHEMBL10580661 0.83 MEN1 (0.34) NPSR1LMNAALDH1A1HPGDCYP2C9
SCHEMBL9801536 0.81 ALDH1A1 (0.35) LMNAP2RY12ALDH1A1HPGDCYP2C9
SCHEMBL6439279 0.81 ALDH1A1 (0.37) LMNAALDH1A1HPGDCYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161504-A4 COLOR FORMER COMPOSITION AND MICROCAPSULES CONTAINING THE COMPOSITION ESCO COMPANY (US) 2004-12-01 EP claimed
EP-1390210-A1 METHOD OF MANUFACTURING HEAT SENSITIVE RECORDING MATERIAL AND HEAT SENSITIVE RECORDING MATERIAL Jujo Thermal Oy (FI) 2004-02-25 EP claimed
WO-2002094575-A1 METHOD OF MANUFACTURING HEAT SENSITIVE RECORDING MATERIAL AND HEAT SENSITIVE RECORDING MATERIAL JUJO THERMAL OY (FI) 2002-11-28 WO claimed
EP-1161504-A1 COLOR FORMER COMPOSITION AND MICROCAPSULES CONTAINING THE COMPOSITION Esco Company (US) 2001-12-12 EP claimed
WO-2000049096-A1 COLOR FORMER COMPOSITION AND MICROCAPSULES CONTAINING THE COMPOSITION ESCO COMPANY (US) 2000-08-24 WO claimed